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grep rough audit - static analysis tool
v2.8 written by @Wireghoul
=================================[justanotherhacker.com]===
openmolcas-19.11/Tools/extra_tests/columbus/runit-8-fi
openmolcas-19.11/Tools/extra_tests/columbus/runit:9:MPROJ=`echo $1| sed -e 's/\.input$//'`
openmolcas-19.11/Tools/extra_tests/columbus/runit-10-echo "Project name=" $MPROJ
##############################################
openmolcas-19.11/Tools/patch2tinker/get_tinker-73-
openmolcas-19.11/Tools/patch2tinker/get_tinker:74:DIR=`( cd \`dirname -- "$0"\` ; pwd )`
openmolcas-19.11/Tools/patch2tinker/get_tinker-75-cd $MOLCAS
##############################################
openmolcas-19.11/Tools/pymolcas/pack.py-51-magic_code = '''#!/bin/sh
openmolcas-19.11/Tools/pymolcas/pack.py:52:name=`readlink -f "$0"`
openmolcas-19.11/Tools/pymolcas/pack.py-53-exec {0} -c "import sys, os; sys.path.insert(0, '$name'); from pymolcas import main; sys.exit(main(my_name='$name'))" "$@"
##############################################
openmolcas-19.11/Tools/verify/symbolize.pl-21- my ($exe,$pc) = split(/\+/, $address);
openmolcas-19.11/Tools/verify/symbolize.pl:22: my $source = `addr2line -f -p -e $exe $pc`;
openmolcas-19.11/Tools/verify/symbolize.pl-23- if ($source =~ /\?\?:\?/) {
##############################################
openmolcas-19.11/cmake/custom/qcmaquis.cmake-27-else()
openmolcas-19.11/cmake/custom/qcmaquis.cmake:28: message(STATUS "Existing version of QCMaquis found at ${QCMaquis_ROOT}\n which will be used. Remember to set all environment variables (PATH, LD_LIBRARY_PATH, ...) correctly.\n HINT: use `source ${QCMaquis_ROOT}/bin/qcmaquis.sh`")
openmolcas-19.11/cmake/custom/qcmaquis.cmake-29-endif()
##############################################
openmolcas-19.11/configure-cmake-479- my $exename = shift;
openmolcas-19.11/configure-cmake:480: my $exepath = `which $exename`
openmolcas-19.11/configure-cmake-481- or die "which failed, check if $exename is installed!";
##############################################
openmolcas-19.11/doc/source/aboutthismanual.rst-37- state of a chemical system, and computing an excited state.
openmolcas-19.11/doc/source/aboutthismanual.rst:38: The input files for this section can be found in the directory :file:`$MOLCAS/doc/samples/problem_based_tutorials`.
openmolcas-19.11/doc/source/aboutthismanual.rst-39- These examples are also employed in |molcas| workshops that the |molcas| team has organized in recent years.
##############################################
openmolcas-19.11/doc/source/advanced.examples/ex-ecp.rst-65-
openmolcas-19.11/doc/source/advanced.examples/ex-ecp.rst:66:The file :file:`ECP` in the |molcas| directory :file:`$MOLCAS/basis_library` contains the
openmolcas-19.11/doc/source/advanced.examples/ex-ecp.rst-67-list of available core potentials and valence basis sets. Both the relativistic
##############################################
openmolcas-19.11/doc/source/advanced.examples/ex-ex.rst-1096-with the active space (1305), stored on the :file:`JOBIPH` file that
openmolcas-19.11/doc/source/advanced.examples/ex-ex.rst:1097:we named :file:`$Project.11A1.JobIph`.
openmolcas-19.11/doc/source/advanced.examples/ex-ex.rst-1098-The final full CASPT2 result is: ::
##############################################
openmolcas-19.11/doc/source/advanced.examples/ex-ex.rst-1132- For example, we compute the CASPT2 correction for the sixth root of symmetry
openmolcas-19.11/doc/source/advanced.examples/ex-ex.rst:1133: one, using the :file:`JOBIPH` file called :file:`$Project.1A1.JobIph`. The input is: ::
openmolcas-19.11/doc/source/advanced.examples/ex-ex.rst-1134-
##############################################
openmolcas-19.11/doc/source/advanced.examples/ex-op.rst-467-For a graphical representation of the harmonic frequencies one can also use the
openmolcas-19.11/doc/source/advanced.examples/ex-op.rst:468::file:`$Project.freq.molden` file as an input to the MOLDEN program.
openmolcas-19.11/doc/source/advanced.examples/ex-op.rst-469-
##############################################
openmolcas-19.11/doc/source/advanced.examples/ex-op.rst-672- the output files of each complete iteration are stored in the $WorkDir
openmolcas-19.11/doc/source/advanced.examples/ex-op.rst:673: directory under the names :file:`1.save.$iter`, for instance:
openmolcas-19.11/doc/source/advanced.examples/ex-op.rst-674- :file:`1.save.1`, :file:`1.save.2`, etc. You should not remove the
##############################################
openmolcas-19.11/doc/source/advanced.examples/ex-rc.rst-879-input. In the previous script we have named the :file:`ONEINT`
openmolcas-19.11/doc/source/advanced.examples/ex-rc.rst:880:as :file:`$Project.OneInt.$Solvent`, but not because it depends on
openmolcas-19.11/doc/source/advanced.examples/ex-rc.rst-881-the solvent but on the cavity radius which should be different
##############################################
openmolcas-19.11/doc/source/advanced.examples/ex-rp.rst-400-``The Cartesian Reaction vector`` section of the :program:`SLAPAF` output.
openmolcas-19.11/doc/source/advanced.examples/ex-rp.rst:401:A file named :file:`$Project.irc.molden` (read by :program:`MOLDEN`) will be generated
openmolcas-19.11/doc/source/advanced.examples/ex-rp.rst-402-in $WorkDir containing only those points belonging to the IRC.
##############################################
openmolcas-19.11/doc/source/installation.guide/install.rst-89-* Other OS: :file:`Shareable.pm`, and :file:`ForkManager.pm` should be available from
openmolcas-19.11/doc/source/installation.guide/install.rst:90: :variable:`$PERL5LIB`
openmolcas-19.11/doc/source/installation.guide/install.rst-91-
##############################################
openmolcas-19.11/doc/source/installation.guide/maintain.rst-16-scratch area, policy in saving files, etc.)
openmolcas-19.11/doc/source/installation.guide/maintain.rst:17:by editing |molcas| resource file: global resource file :file:`$MOLCAS/molcasrc` or
openmolcas-19.11/doc/source/installation.guide/maintain.rst:18:user resource file :file:`$HOME/.Molcas/molcasrc`.
openmolcas-19.11/doc/source/installation.guide/maintain.rst-19-
##############################################
openmolcas-19.11/doc/source/installation.guide/maintain.rst-151-to the files located in the subdirectory :file:`prgm` in the current (:variable:`CurrDir`) directory,
openmolcas-19.11/doc/source/installation.guide/maintain.rst:152:next the :file:`$HOME/.Molcas` and finally the original location at :file:`$MOLCAS/data`.
openmolcas-19.11/doc/source/installation.guide/maintain.rst-153-
##############################################
openmolcas-19.11/doc/source/installation.guide/maintain.rst-191-do three things. First, please edit an external resource :file:`*.prgm` (for example,
openmolcas-19.11/doc/source/installation.guide/maintain.rst:192::file:`$MOLCAS/data/seward.prgm`) from the :file:`$MOLCAS/data/` directory. If you don't
openmolcas-19.11/doc/source/installation.guide/maintain.rst-193-have access to the root |molcas| directory, then you can simply copy the
openmolcas-19.11/doc/source/installation.guide/maintain.rst:194:needed resource file into your home :file:`$HOME/.Molcas/` directory and edit it there.
openmolcas-19.11/doc/source/installation.guide/maintain.rst-195-The editing of the file consists in adding the "``e``" character to its
##############################################
openmolcas-19.11/doc/source/installation.guide/parainst.rst-126-
openmolcas-19.11/doc/source/installation.guide/parainst.rst:127:#. Check that the correct wrapper compilers were detected, as specified in :file:`$MOLCAS/Symbols`.
openmolcas-19.11/doc/source/installation.guide/parainst.rst-128-#. If needed, change the :variable:`F77`/:variable:`F90` and :variable:`CC` variables in the :file:`Symbols` file for any custom modifications you made to the wrappers.
##############################################
openmolcas-19.11/doc/source/installation.guide/parainst.rst-130-#. Check the command for executing binaries in parallel, as specified by :variable:`RUNBINARY` in
openmolcas-19.11/doc/source/installation.guide/parainst.rst:131: :file:`$MOLCAS/molcas.rte`.
openmolcas-19.11/doc/source/installation.guide/parainst.rst-132-#. Install (and test) |molcas|.
##############################################
openmolcas-19.11/doc/source/installation.guide/parainst.rst-171-Beowulf cluster using PBS as queue system the :variable:`RUNBINARY` variable in
openmolcas-19.11/doc/source/installation.guide/parainst.rst:172::file:`$MOLCAS/molcas.rte` should look something like: ::
openmolcas-19.11/doc/source/installation.guide/parainst.rst-173-
##############################################
openmolcas-19.11/doc/source/tutorials/nutshell.rst-32-The location of the |molcas| driver is defined at installation time and is
openmolcas-19.11/doc/source/tutorials/nutshell.rst:33:typically located in :file:`/usr/local/bin` or :file:`$HOME/bin`.
openmolcas-19.11/doc/source/tutorials/nutshell.rst-34-Check to ensure that this directory is included in your path. Otherwise, the path can be extended
##############################################
openmolcas-19.11/doc/source/tutorials/nutshell.rst-453- #. :command:`Set Output File` places all output from
openmolcas-19.11/doc/source/tutorials/nutshell.rst:454: each iteration in the :file:`$WorkDir` directory in files named
openmolcas-19.11/doc/source/tutorials/nutshell.rst-455- :file:`Structure.iter.output`, where :command:`iter` is the number of
##############################################
openmolcas-19.11/doc/source/tutorials/nutshell.rst-561-
openmolcas-19.11/doc/source/tutorials/nutshell.rst:562: This file is generated by :program:`GRID_IT` and, by default, placed in the :file:`$WorkDir` directory with the name
openmolcas-19.11/doc/source/tutorials/nutshell.rst:563: :file:`$Project.lus`. The program allows displaying total densities, molecular orbitals, and charge density differences.
openmolcas-19.11/doc/source/tutorials/nutshell.rst-564-
##############################################
openmolcas-19.11/doc/source/tutorials/nutshell.rst-584- Note, that in the example above, the :program:`GRID_IT` program will generate a
openmolcas-19.11/doc/source/tutorials/nutshell.rst:585: :file:`$Project.lus` file which :program:`LUSCUS` then uses, eliminating the need for defining
openmolcas-19.11/doc/source/tutorials/nutshell.rst:586: :file:`$Project.lus` and allowing this file to be overwritten. :program:`rasscf` will
openmolcas-19.11/doc/source/tutorials/nutshell.rst:587: read starting orbitals from the :file:`$Project.GvOrb` file.
##############################################
openmolcas-19.11/doc/source/tutorials/tut_caspt2.rst-82-
openmolcas-19.11/doc/source/tutorials/tut_caspt2.rst:83:The :program:`CASPT2` module needs the integral files in :file:`$WorkDir` and the
openmolcas-19.11/doc/source/tutorials/tut_caspt2.rst-84-:file:`RUNFILE` file from the and the :file:`JOBIPH` file from the
##############################################
openmolcas-19.11/doc/source/tutorials/tut_ex.rst-191-to save the information. The link to the first :program:`CASPT2` calculation
openmolcas-19.11/doc/source/tutorials/tut_ex.rst:192:will saved in file :file:`$Project.JobMix.S` the data from the :program:`CASPT2`
openmolcas-19.11/doc/source/tutorials/tut_ex.rst-193-result of the ground state, while the second link before the second :program:`CASPT2`
##############################################
openmolcas-19.11/doc/source/tutorials/tut_ex.rst-472-MEP (four plus the initial one obtained here) is computed through a specific optimization.
openmolcas-19.11/doc/source/tutorials/tut_ex.rst:473:A file named :file:`$Project.mep.molden` (read by :program:`MOLDEN` )
openmolcas-19.11/doc/source/tutorials/tut_ex.rst-474-will be generated in $WorkDir containing only those points belonging to the MEP.
##############################################
openmolcas-19.11/doc/source/tutorials/tut_molden.rst-24-* :program:`GUESSORB` module:
openmolcas-19.11/doc/source/tutorials/tut_molden.rst:25: :file:`$Project.guessorb.molden` (:file:`MD_GSS`)
openmolcas-19.11/doc/source/tutorials/tut_molden.rst-26-* :program:`SCF` module:
openmolcas-19.11/doc/source/tutorials/tut_molden.rst:27: :file:`$Project.scf.molden` (:file:`MD_SCF`)
openmolcas-19.11/doc/source/tutorials/tut_molden.rst-28-* :program:`MBPT2` module:
openmolcas-19.11/doc/source/tutorials/tut_molden.rst:29: :file:`$Project.mp2.molden` (:file:`MD_MP2`)
openmolcas-19.11/doc/source/tutorials/tut_molden.rst-30-* :program:`RASSCF` module:
openmolcas-19.11/doc/source/tutorials/tut_molden.rst:31: :file:`$Project.rasscf.molden` (:file:`MD_CAS`) for the state-averaged natural orbitals, and
openmolcas-19.11/doc/source/tutorials/tut_molden.rst:32: :file:`$Project.rasscf.x.molden` (:file:`MD_CAS.x`) for the state-specific natural spin orbitals,
openmolcas-19.11/doc/source/tutorials/tut_molden.rst-33- where :file:`x` is the index of a CI root.
openmolcas-19.11/doc/source/tutorials/tut_molden.rst-34-* :program:`SLAPAF` module:
openmolcas-19.11/doc/source/tutorials/tut_molden.rst:35: :file:`$Project.geo.molden` (:file:`MD_GEO`) for geometry optimizations,
openmolcas-19.11/doc/source/tutorials/tut_molden.rst:36: :file:`$Project.mep.molden` (:file:`MD_MEP`) for minimum energy paths,
openmolcas-19.11/doc/source/tutorials/tut_molden.rst:37: :file:`$Project.irc.molden` (:file:`MD_IRC`) for IRC analysis of a TS, and
openmolcas-19.11/doc/source/tutorials/tut_molden.rst:38: :file:`$Project.saddle.molden` (:file:`MD_SADDLE`) for Saddle method TS optimizations.
openmolcas-19.11/doc/source/tutorials/tut_molden.rst-39-* :program:`LOCALISATION` module:
openmolcas-19.11/doc/source/tutorials/tut_molden.rst:40: :file:`$Project.local.molden` (:file:`MD_LOC`)
openmolcas-19.11/doc/source/tutorials/tut_molden.rst-41-* :program:`MCLR` module:
openmolcas-19.11/doc/source/tutorials/tut_molden.rst:42: :file:`$Project.freq.molden` (:file:`MD_FREQ`)
##############################################
openmolcas-19.11/doc/source/tutorials/tut_op.rst-31-.. The commands :command:`Set output file`, which prints output for each iterations and
openmolcas-19.11/doc/source/tutorials/tut_op.rst:32: in the :file:`$WorkDir` directory with the file name :file:`Structure.$iteration.output`, and
openmolcas-19.11/doc/source/tutorials/tut_op.rst-33- :command:`Set maxiter 100`, which sets maximum iterations to one hundred.
##############################################
openmolcas-19.11/doc/source/tutorials/tut_op.rst-70-nuclear geometry for the next iteration. Automatically, a file named
openmolcas-19.11/doc/source/tutorials/tut_op.rst:71::file:`$Project.geo.molden` will be generated in :file:`$WorkDir` containing all the
openmolcas-19.11/doc/source/tutorials/tut_op.rst-72-geometric steps contained in the optimization process. :program:`MOLDEN` or :program:`LUSCUS` can
##############################################
openmolcas-19.11/doc/source/tutorials/tut_op.rst-160-Hessian will be computed at the final geometry.
openmolcas-19.11/doc/source/tutorials/tut_op.rst:161:In general, any calculation performed using a :file:`$WorkDir` directory where a
openmolcas-19.11/doc/source/tutorials/tut_op.rst-162-previous geometry optimization has taken place will use the last geomtry calculated
##############################################
openmolcas-19.11/doc/source/tutorials/tut_op.rst-169-In particular, for water at its minimum energy structure three (:math:`3N-6`)
openmolcas-19.11/doc/source/tutorials/tut_op.rst:170:real vibrational frequencies. By default, in :file:`$WorkDir` a file :file:`$Project.freq.molden`
openmolcas-19.11/doc/source/tutorials/tut_op.rst-171-is generated containing the vibrational frequencies and modes, which can be visualized by :program:`MOLDEN`.
##############################################
openmolcas-19.11/doc/source/tutorials/tut_rasscf.rst-259-will, however, automatically place the orbital files from the calculation in the
openmolcas-19.11/doc/source/tutorials/tut_rasscf.rst:260:user's home directory under the name :file:`$Project.RasOrb`, etc. In
openmolcas-19.11/doc/source/tutorials/tut_rasscf.rst-261-calculations with spin different from zero the program will also produce the
openmolcas-19.11/doc/source/tutorials/tut_rasscf.rst:262:spin orbital files :file:`$Project.SpdOrb1`, etc for each state. These orbitals
openmolcas-19.11/doc/source/tutorials/tut_rasscf.rst-263-can be used by the program :program:`LUSCUS` to produce spin densities.
##############################################
openmolcas-19.11/doc/source/tutorials/tut_scf.rst-172-could for example be an orbital file generated by an earlier SCF calculation,
openmolcas-19.11/doc/source/tutorials/tut_scf.rst:173::file:`$Project.ScfOrb`. Just copy or link the file as :file:`INPORB`.
openmolcas-19.11/doc/source/tutorials/tut_scf.rst-174-
##############################################
openmolcas-19.11/doc/source/tutorials/tut_seward.rst-53-automatically symbolically linked by the |molcas| script to the file
openmolcas-19.11/doc/source/tutorials/tut_seward.rst:54:names :variable:`$Project`:file:`.OneInt` and
openmolcas-19.11/doc/source/tutorials/tut_seward.rst:55::variable:`$Project`:file:`.OrdInt`, respectively
openmolcas-19.11/doc/source/tutorials/tut_seward.rst-56-or more specifically, in our case, :file:`water.OneInt` and
##############################################
openmolcas-19.11/doc/source/tutorials/tut_seward.rst-58-symbolical name is contained in the corresponding program files of the
openmolcas-19.11/doc/source/tutorials/tut_seward.rst:59:directory :file:`$MOLCAS/shell`.
openmolcas-19.11/doc/source/tutorials/tut_seward.rst-60-The :file:`ONEINT` file contains the one-electron integrals.
##############################################
openmolcas-19.11/doc/source/tutorials/tut_sp.rst-55- In closed-shell cases, like :math:`\ce{CH4}`, input for :program:`SCF` is not required. All the input
openmolcas-19.11/doc/source/tutorials/tut_sp.rst:56: files discussed here can be found at :file:`$MOLCAS/doc/samples/problem_based_tutorials`, including the file
openmolcas-19.11/doc/source/tutorials/tut_sp.rst-57- :file:`SCF.energy.CH4` described below.
##############################################
openmolcas-19.11/doc/source/tutorials/tut_sp.rst-108-kept in the $WorkDir directory for further use. For instance, files
openmolcas-19.11/doc/source/tutorials/tut_sp.rst:109::file:`$Project.OneInt` and :file:`$Project.OrdInt` contain the one- and
openmolcas-19.11/doc/source/tutorials/tut_sp.rst:110:two-electron integrals stored in binary format. File :file:`$Project.ScfOrb`
openmolcas-19.11/doc/source/tutorials/tut_sp.rst-111-stores the HF molecular orbitals in ASCII format, and
openmolcas-19.11/doc/source/tutorials/tut_sp.rst:112::file:`$Project.RunFile` is a communication file between programs. All these
openmolcas-19.11/doc/source/tutorials/tut_sp.rst-113-files can be used later for more advanced calculations avoiding a
##############################################
openmolcas-19.11/doc/source/tutorials/tut_sp.rst-117-results. By default, |molcas| generates files which can be read with the
openmolcas-19.11/doc/source/tutorials/tut_sp.rst:118::program:`MOLDEN` program and are found in the :file:`$WorkDir` including the file :file:`CH4.scf.molden`.
openmolcas-19.11/doc/source/tutorials/tut_sp.rst-119-This file contains information about molecular geometry and molecular orbitals, and requires the use if *Density Mode* in :program:`MOLDEN`.
##############################################
openmolcas-19.11/doc/source/tutorials/tut_sp.rst-150-
openmolcas-19.11/doc/source/tutorials/tut_sp.rst:151: In the :file:`$WorkDir` and :file:`$PWD` directories a new file is generated, :file:`CH4.lus` which
openmolcas-19.11/doc/source/tutorials/tut_sp.rst-152- contains the information required by the :program:`GRID_IT` input. The file can
##############################################
openmolcas-19.11/doc/source/tutorials/tut_sp.rst-162-:program:`GRID_IT` can also be run separately, if an orbital file is specified in
openmolcas-19.11/doc/source/tutorials/tut_sp.rst:163:the input, and the :file:`$WorkDir` directory is available.
openmolcas-19.11/doc/source/tutorials/tut_sp.rst-164-
##############################################
openmolcas-19.11/doc/source/tutorials/tut_sp.rst-167-As an alternative to running a specific project, the short script provided below can be placed
openmolcas-19.11/doc/source/tutorials/tut_sp.rst:168:in the directory :file:`$MOLCAS/doc/samples/problem_based_tutorials` with the name :file:`project.sh`.
openmolcas-19.11/doc/source/tutorials/tut_sp.rst:169:Simply execute the shell script, :command:`project.sh $Project`, where :command:`$Project` is the |molcas| input,
openmolcas-19.11/doc/source/tutorials/tut_sp.rst:170:and output files, error files, and a :file:`$WorkDir` directory called :file:`$Project.work` will be obtained.
openmolcas-19.11/doc/source/tutorials/tut_sp.rst-171-
##############################################
openmolcas-19.11/doc/source/tutorials/tut_sp.rst-207-
openmolcas-19.11/doc/source/tutorials/tut_sp.rst:208:Similar graphical files can be found in :file:`$WorkDir` and :file:`$PWD`.
openmolcas-19.11/doc/source/tutorials/tut_sp.rst-209-
##############################################
openmolcas-19.11/doc/source/tutorials/tut_sp.rst-218-
openmolcas-19.11/doc/source/tutorials/tut_sp.rst:219:The proper intermediate file will be already in :file:`$WorkDir`.
openmolcas-19.11/doc/source/tutorials/tut_sp.rst-220-On the other hand, one has to start from scratch, all required inputs should
##############################################
openmolcas-19.11/doc/source/tutorials/tut_sp.rst-222-If the decision is to start the project from the beginning, it is probably a good idea to remove
openmolcas-19.11/doc/source/tutorials/tut_sp.rst:223:the entire :file:`$WorkDir` directory, unless it is known for certain the exact nature of the files contained in this directory.
openmolcas-19.11/doc/source/tutorials/tut_sp.rst-224-
##############################################
openmolcas-19.11/doc/source/tutorials/tut_sp.rst-392-:program:`CASPT2` program. If all previously calculated files are retained in the
openmolcas-19.11/doc/source/tutorials/tut_sp.rst:393::file:`$WorkDir` directory, in particular, integral files (:file:`CH4.OneInt`, :file:`CH4.OrdInt`),
openmolcas-19.11/doc/source/tutorials/tut_sp.rst-394-the CASSCF wave function information file (:file:`CH4.JobIph`), and communication file :file:`CH4.RunFile`), it will not be
##############################################
openmolcas-19.11/doc/source/users.guide/basis_library/ANO-RCC.inc-86-A translation between the two possibilities can be found in file:
openmolcas-19.11/doc/source/users.guide/basis_library/ANO-RCC.inc:87::file:`$MOLCAS/basis_library/basis.tbl`
##############################################
openmolcas-19.11/doc/source/users.guide/emil.rst-405-
openmolcas-19.11/doc/source/users.guide/emil.rst:406::command:`>> IF ( $VAR = N )`
openmolcas-19.11/doc/source/users.guide/emil.rst-407- a command to make conditional execution if $VAR value equals to N (if statement terminated by ENDIF command)
openmolcas-19.11/doc/source/users.guide/emil.rst-408-
openmolcas-19.11/doc/source/users.guide/emil.rst:409::command:`>> IF ( $VAR = N ) GOTO JUMP`
openmolcas-19.11/doc/source/users.guide/emil.rst-410- a command to make conditional goto to a label JUMP
##############################################
openmolcas-19.11/doc/source/users.guide/emil.rst-452-:program:`SLAPAF` as a last statement of loop block. The summary of geometry optimization
openmolcas-19.11/doc/source/users.guide/emil.rst:453:convergence located in a file :file:`$Project.structure`.
openmolcas-19.11/doc/source/users.guide/emil.rst-454-The programs following a geometry optimization will automatically
##############################################
openmolcas-19.11/doc/source/users.guide/emil.rst-730-It is also possible to use parameters. In the alias file, possible parameters
openmolcas-19.11/doc/source/users.guide/emil.rst:731:have names: ``$1``, ``$2``, etc. up to 5 parameters.
openmolcas-19.11/doc/source/users.guide/emil.rst-732-In the user input an alias should be followed by parenthesis with comma separated list
##############################################
openmolcas-19.11/doc/source/users.guide/environment.rst-81-it can be set to a directory name. In this case scratch area will be located
openmolcas-19.11/doc/source/users.guide/environment.rst:82:in a subdirectory :file:`$MOLCAS_WORKDIR/$Project`. It is also possible to
openmolcas-19.11/doc/source/users.guide/environment.rst-83-overwrite the value of scratch area, by setting environment variable
##############################################
openmolcas-19.11/doc/source/users.guide/environment.rst-101-
openmolcas-19.11/doc/source/users.guide/environment.rst:102: * :file:`$Project.<prgm-name>.input`
openmolcas-19.11/doc/source/users.guide/environment.rst-103-
##############################################
openmolcas-19.11/doc/source/users.guide/environment.rst-129-
openmolcas-19.11/doc/source/users.guide/environment.rst:130:The file :file:`$ThisDir/$Project.input` contains the ordered sequence
openmolcas-19.11/doc/source/users.guide/environment.rst-131-of |molcas| inputs and the EMIL interpreter will call the appropriate
##############################################
openmolcas-19.11/doc/source/users.guide/environment.rst-189-:command:`molcas setuprc`. This interactive script creates
openmolcas-19.11/doc/source/users.guide/environment.rst:190:a resource file :file:`molcasrc`, located either in :file:`$MOLCAS` or :file:`$HOME/.Molcas`
openmolcas-19.11/doc/source/users.guide/environment.rst-191-directory. The priority of these settings is: user defined settings
##############################################
openmolcas-19.11/doc/source/users.guide/environment.rst-205- e.g. :command:`molcas -ign input` will process input file without settings,
openmolcas-19.11/doc/source/users.guide/environment.rst:206: which are stored in :file:`$MOLCAS/molcasrc` and in :file:`$HOME/molcasrc` files.
openmolcas-19.11/doc/source/users.guide/environment.rst-207-
##############################################
openmolcas-19.11/doc/source/users.guide/environment.rst-386-:variable:`MOLCAS_INPORB_VERSION`
openmolcas-19.11/doc/source/users.guide/environment.rst:387: Selects the version used for writing orbital files (`$Project.ScfOrb`, `$Project.RasOrb`, etc.).
openmolcas-19.11/doc/source/users.guide/environment.rst-388- The value should be a version number such as ``1.0`` or ``2.2``.
##############################################
openmolcas-19.11/doc/source/users.guide/environment.rst-669-Another way of customizing |molcas| is to use prologue and epilogue scripts. If user created a file
openmolcas-19.11/doc/source/users.guide/environment.rst:670::file:`prologue` in :file:`$HOME/.Molcas` directory it will be executed (as :command:`./prologue`) before |molcas| calculation
openmolcas-19.11/doc/source/users.guide/environment.rst:671:starts. :file:`epilogue` in :file:`$HOME/.Molcas` directory will be executed at the end of calculation.
openmolcas-19.11/doc/source/users.guide/environment.rst-672-Files :file:`module.prologue` and :file:`module.epilogue` contains commands executing before and after
openmolcas-19.11/doc/source/users.guide/environment.rst-673-each executable molcas module. These files may use internal |molcas| variables, such as
openmolcas-19.11/doc/source/users.guide/environment.rst:674::variable:`$Project`, :variable:`$WorkDir`, :variable:`$MOLCAS_MEM`, etc. Note that prologue/epilogue scripts should be executable.
openmolcas-19.11/doc/source/users.guide/environment.rst:675:For debug purposes, the location of prologue and epilogue files can be set by :variable:`$MOLCAS_LOGUE_DIR` variable.
openmolcas-19.11/doc/source/users.guide/environment.rst-676-
##############################################
openmolcas-19.11/doc/source/users.guide/programs/dmrgscf.rst-193-:kword:`FCIDUMP`
openmolcas-19.11/doc/source/users.guide/programs/dmrgscf.rst:194: Skip the wave function optimization and write out the transformed active MO integrals to a :file:`FCIDUMP` file in :file:`$WorkDir` which can be used in subsequent **QCMaquis** DMRG calculations.
openmolcas-19.11/doc/source/users.guide/programs/dmrgscf.rst-195-
##############################################
openmolcas-19.11/doc/source/users.guide/programs/dmrgscf.rst-217-:kword:`NEVPT2prep`
openmolcas-19.11/doc/source/users.guide/programs/dmrgscf.rst:218: Prepare for a subsequent DMRG-NEVPT2 or CASPT2 calculation. If this keyword is followed by a parameter :kword:`EVRDM`, then the four- and transition three-particle density matrices (4- and t-3RDMs), required for the MRPT2 calculations, will be evaluated and stored on disk in :file:`$WorkDir`. Otherwise, **QCMaquis** input files for the 4- and t-3RDMs evaluation are prepared and the RDM evaluation may be performed externally. More about external RDM evaluation in Section 6.3 of the QCMaquis_ manual.
openmolcas-19.11/doc/source/users.guide/programs/dmrgscf.rst-219-
##############################################
openmolcas-19.11/doc/source/users.guide/programs/dmrgscf.rst-244-(for more information see :numref:`UG:sec:files_list`). We strongly recommend to use the HDF5 files
openmolcas-19.11/doc/source/users.guide/programs/dmrgscf.rst:245:(:file:`$Project.ProgramName.h5`) produced by the wave
openmolcas-19.11/doc/source/users.guide/programs/dmrgscf.rst-246-function modules in |molcas| as orbital input files, see the keyword :kword:`FILEORB` in the :program:`RASSCF` input,
##############################################
openmolcas-19.11/doc/source/users.guide/programs/dynamix.rst-139-
openmolcas-19.11/doc/source/users.guide/programs/dynamix.rst:140: **1** --- The velocities are read from the file :file:`$Project.velocity.xyz`
openmolcas-19.11/doc/source/users.guide/programs/dynamix.rst:141: in :file:`$WorkDir`. This file contains velocities in the xyz format given in the same
openmolcas-19.11/doc/source/users.guide/programs/dynamix.rst-142- order as the atoms in coordinate file. The unit of the velocities is [bohr\ :math:`\cdot`\(a.u. of time)\ :math:`^{-1}`].
##############################################
openmolcas-19.11/doc/source/users.guide/programs/dynamix.rst-144- **2** --- This option allows to read in mass-weighted velocities from the
openmolcas-19.11/doc/source/users.guide/programs/dynamix.rst:145: file :file:`$Project.velocity.xyz` in [bohr\ :math:`\cdot\sqrt{\text{a.m.u.}}\cdot`\(a.u. of time)\ :math:`^{-1}`].
openmolcas-19.11/doc/source/users.guide/programs/dynamix.rst-146-
##############################################
openmolcas-19.11/doc/source/users.guide/programs/espf.rst-58-
openmolcas-19.11/doc/source/users.guide/programs/espf.rst:59:*IMPORTANT:* The environment variable :variable:`TINKER` must point to the directory in which the :program:`TINKER` executable binaries are stored (usually in :file:`$MOLCAS/tinker/bin`).
openmolcas-19.11/doc/source/users.guide/programs/espf.rst-60-
##############################################
openmolcas-19.11/doc/source/users.guide/programs/espf.rst-149-
openmolcas-19.11/doc/source/users.guide/programs/espf.rst:150::file:`$Project.xyz`
openmolcas-19.11/doc/source/users.guide/programs/espf.rst-151- The coordinate file for :program:`TINKER`.
openmolcas-19.11/doc/source/users.guide/programs/espf.rst-152-
openmolcas-19.11/doc/source/users.guide/programs/espf.rst:153::file:`$Project.key`
openmolcas-19.11/doc/source/users.guide/programs/espf.rst-154- The keyword file for :program:`TINKER`.
openmolcas-19.11/doc/source/users.guide/programs/espf.rst-155-
openmolcas-19.11/doc/source/users.guide/programs/espf.rst:156::file:`$Project.qmmm`
openmolcas-19.11/doc/source/users.guide/programs/espf.rst-157- The communication file between |molcas| and :program:`TINKER`.
##############################################
openmolcas-19.11/doc/source/users.guide/programs/gateway.rst-120- The keyword followed by the absolute path to the basis set library directory. The default
openmolcas-19.11/doc/source/users.guide/programs/gateway.rst:121: is the :file:`$MOLCAS/basis_library` directory. Note that this directory must also be host to
openmolcas-19.11/doc/source/users.guide/programs/gateway.rst-122- local copies of the .tbl files.
##############################################
openmolcas-19.11/doc/source/users.guide/programs/gateway.rst-2120- more rigid fragments. The starting geometry can either be defined by supplying an xyz-file for each
openmolcas-19.11/doc/source/users.guide/programs/gateway.rst:2121: fragment using the keyword :kword:`coord` or by placing a file named :file:`$Project.zmt` in a directory
openmolcas-19.11/doc/source/users.guide/programs/gateway.rst:2122: named :file:`$Project.GEO`. The z-matrix should be in the following format: ::
openmolcas-19.11/doc/source/users.guide/programs/gateway.rst-2123-
##############################################
openmolcas-19.11/doc/source/users.guide/programs/gateway.rst-2205- to restart calculations. When using the keyword for a new calculation a directory
openmolcas-19.11/doc/source/users.guide/programs/gateway.rst:2206: :file:`$Project.GEO` must exist and contain a file called :file:`$Project.zmt` with a z-matrix in
openmolcas-19.11/doc/source/users.guide/programs/gateway.rst-2207- the format defined above. The directory must not contain any files with the suffix :file:`.info`
##############################################
openmolcas-19.11/doc/source/users.guide/programs/gateway.rst-2218- This keyword is used to construct a z-matrix from a set of xyz-files (fragments)
openmolcas-19.11/doc/source/users.guide/programs/gateway.rst:2219: and store it in the directory :file:`$Project.GEO`. The optimization parameters
openmolcas-19.11/doc/source/users.guide/programs/gateway.rst-2220- of the resulting z-matrix are set so that only coordinates linking fragments are
##############################################
openmolcas-19.11/doc/source/users.guide/programs/gateway.rst-2236- :program:`slapaf` in order to keep the fragments rigid. The resulting constraints-file
openmolcas-19.11/doc/source/users.guide/programs/gateway.rst:2237: is named :file:`$Project.cns` and stored in the directory :file:`$Project.GEO`. The
openmolcas-19.11/doc/source/users.guide/programs/gateway.rst-2238- atom-numbers in this constraint-file will not match those of your original xyz-file and
openmolcas-19.11/doc/source/users.guide/programs/gateway.rst-2239- should not be used together with this. Instead a new xyz-file named :file:`cons.xyz` is created
openmolcas-19.11/doc/source/users.guide/programs/gateway.rst:2240: and placed into the directory :file:`$Project.GEO`, this has the proper numbering to use together with the constraints.
openmolcas-19.11/doc/source/users.guide/programs/gateway.rst-2241-
##############################################
openmolcas-19.11/doc/source/users.guide/programs/geo.rst-43-coordinates for the whole complex is then constructed and stored into the
openmolcas-19.11/doc/source/users.guide/programs/geo.rst:44:file :file:`$project.zmt` of the
openmolcas-19.11/doc/source/users.guide/programs/geo.rst:45:directory :file:`$GeoDir` which is a communication directory set up and
openmolcas-19.11/doc/source/users.guide/programs/geo.rst-46-used by the :program:`geo` module. The internal coordinates are chosen so that
##############################################
openmolcas-19.11/doc/source/users.guide/programs/geo.rst-155-:program:`Geo` will also use internal communication files in the directory
openmolcas-19.11/doc/source/users.guide/programs/geo.rst:156::file:`$GeoDir` described in more detail in the next section.
openmolcas-19.11/doc/source/users.guide/programs/geo.rst-157-
##############################################
openmolcas-19.11/doc/source/users.guide/programs/geo.rst-162-are used a directory
openmolcas-19.11/doc/source/users.guide/programs/geo.rst:163::file:`$GeoDir` is created (by default in the input-directory:
openmolcas-19.11/doc/source/users.guide/programs/geo.rst:164::file:`$CurrDir/$Project.Geo`).
openmolcas-19.11/doc/source/users.guide/programs/geo.rst-165-This directory
##############################################
openmolcas-19.11/doc/source/users.guide/programs/geo.rst-169-
openmolcas-19.11/doc/source/users.guide/programs/geo.rst:170::file:`$project.zmt`
openmolcas-19.11/doc/source/users.guide/programs/geo.rst-171- The file with the z-matrix as described above.
##############################################
openmolcas-19.11/doc/source/users.guide/programs/geo.rst-202-
openmolcas-19.11/doc/source/users.guide/programs/geo.rst:203::file:`$project.disp????.energy`
openmolcas-19.11/doc/source/users.guide/programs/geo.rst-204- A one line file that simply state the current energy for the displacement.
##############################################
openmolcas-19.11/doc/source/users.guide/programs/geo.rst-211-
openmolcas-19.11/doc/source/users.guide/programs/geo.rst:212::file:`$project.final????.xyz`
openmolcas-19.11/doc/source/users.guide/programs/geo.rst-213- An xyz-file with coordinates for all fragments after XXXX geometry optimizations.
##############################################
openmolcas-19.11/doc/source/users.guide/programs/geo.rst-218-
openmolcas-19.11/doc/source/users.guide/programs/geo.rst:219::file:`$project.geo.molden`
openmolcas-19.11/doc/source/users.guide/programs/geo.rst-220- A molden file with information about the geometry optimization.
##############################################
openmolcas-19.11/doc/source/users.guide/programs/grid_it.rst-150- On the following line user can specify the filename, which will be
openmolcas-19.11/doc/source/users.guide/programs/grid_it.rst:151: used instead of INPORB (default). For example: :kword:`FileOrb=$CurrDir/$Project.ScfOrb`.
openmolcas-19.11/doc/source/users.guide/programs/grid_it.rst-152-
##############################################
openmolcas-19.11/doc/source/users.guide/programs/mknemo.rst-573-:file:`MKNEMO.Restart`
openmolcas-19.11/doc/source/users.guide/programs/mknemo.rst:574: The MKNEMO.Restart is a restart file, which will be generated by :program:`MkNemo` at the first run if the file does not exist. Any call of **group of command: Mole, Clus, and Disp** will be updated and the restart file is saved in user's $CurrDir. If :program:`MkNemo` calculation crashes, one can fix a reason of crash, copy restart and MKNEMO.Nemo files to $WorkDir, and run the calculation again. The :program:`MkNemo` will restart calculation from the last point which has been finished successfully. If the MKNEMO.Nemo file will not be copied the :program:`MkNemo` will generate a new one and will overwrite the file in your $CurrDirr if any exist. Beware of it.
openmolcas-19.11/doc/source/users.guide/programs/mknemo.rst-575-
##############################################
openmolcas-19.11/doc/source/users.guide/programs/poly_aniso.rst-119-:file:`zeeman_energy_xxx.txt`
openmolcas-19.11/doc/source/users.guide/programs/poly_aniso.rst:120: A series of files named :file:`zeeman_energy_xxx.txt` is produced in the :file:`$WorkDir` only in case keyword :kword:`ZEEM` is
openmolcas-19.11/doc/source/users.guide/programs/poly_aniso.rst-121- employed (see below). Each file is an ASCII text formated and contains Zeeman spectra of the investigated
##############################################
openmolcas-19.11/doc/source/users.guide/programs/rasscf.rst-293-:file:`FCIINP`
openmolcas-19.11/doc/source/users.guide/programs/rasscf.rst:294: The :file:`$Project.FciInp` (or :file:`FCIINP`) file contains input keywords for the NECI code.
openmolcas-19.11/doc/source/users.guide/programs/rasscf.rst-295- These keywords need to be adjusted depending on the chemical system under investigation for an optimal FCIQMC dynamics.
##############################################
openmolcas-19.11/doc/source/users.guide/programs/rasscf.rst-297-:file:`FCIDMP`
openmolcas-19.11/doc/source/users.guide/programs/rasscf.rst:298: The :file:`$Project.FciDmp` (or :file:`FCIDMP`), also know as FCIDUMP, contains the MO integrals in the active space.
openmolcas-19.11/doc/source/users.guide/programs/rasscf.rst-299- It is a ASCII formatted file. Indices are sorted by symmetry (Irrep).
##############################################
openmolcas-19.11/doc/source/users.guide/programs/rasscf.rst-322-
openmolcas-19.11/doc/source/users.guide/programs/rasscf.rst:323::file:`$Project.TwoRDM_XXXX`
openmolcas-19.11/doc/source/users.guide/programs/rasscf.rst-324- These files are ASCII NECI generated output files.
##############################################
openmolcas-19.11/doc/source/users.guide/programs/rasscf.rst-593-was usually a link, pointing to whichever file the user wanted, or by default
openmolcas-19.11/doc/source/users.guide/programs/rasscf.rst:594:to the file :file:`$Project.JobIph` if no such links had been made. This default
openmolcas-19.11/doc/source/users.guide/programs/rasscf.rst-595-can be changed, see keyword :kword:`NewIph` and :kword:`IphName`.
##############################################
openmolcas-19.11/doc/source/users.guide/programs/rasscf.rst-623- (up to ten roots)
openmolcas-19.11/doc/source/users.guide/programs/rasscf.rst:624: to the working directory from :file:`JOBIPH` and named :file:`$Project.RasOrb.1`,
openmolcas-19.11/doc/source/users.guide/programs/rasscf.rst:625: :file:`$Project.RasOrb.2`, etc.
openmolcas-19.11/doc/source/users.guide/programs/rasscf.rst-626- Each set of MO's is stored together with the
##############################################
openmolcas-19.11/doc/source/users.guide/programs/rassi.rst-246- An older naming convention assumes file names JOB001, JOB002, etc. for these files.
openmolcas-19.11/doc/source/users.guide/programs/rassi.rst:247: They are automatically linked to default files named :file:`$Project.JobIph`,
openmolcas-19.11/doc/source/users.guide/programs/rassi.rst:248: :file:`$Project.JobIph01`, :file:`$Project.JobIph02`, etc. in directory :file:`$WorkDir`,
openmolcas-19.11/doc/source/users.guide/programs/rassi.rst-249- unless they already exist as files or links before the program starts.
##############################################
openmolcas-19.11/doc/source/users.guide/programs/rassi.rst-257- other names were specified by input.
openmolcas-19.11/doc/source/users.guide/programs/rassi.rst:258: They are automatically linked to default files named :file:`$Project.JobIph`,
openmolcas-19.11/doc/source/users.guide/programs/rassi.rst:259: :file:`$Project.JobIph01`, :file:`$Project.JobIph02`, etc. in directory :file:`$WorkDir`,
openmolcas-19.11/doc/source/users.guide/programs/rassi.rst-260- unless they already exist as files or links before the program starts.
##############################################
openmolcas-19.11/doc/source/users.guide/programs/single_aniso.rst-99-:file:`RUNFILE`
openmolcas-19.11/doc/source/users.guide/programs/single_aniso.rst:100: The file of communication between different modules in |molcas|. Normally it is already present in :file:`i$WorkDir`.
openmolcas-19.11/doc/source/users.guide/programs/single_aniso.rst-101- The :program:`SINGLE_ANISO` may be restarted as many times as necessary in the same working directory where the previous :program:`RASSI` was succesfully executed. The :file:`RUNFILE` contains then all necessary data.
##############################################
openmolcas-19.11/doc/source/users.guide/programs/single_aniso.rst-103-:file:`ANISOINPUT`
openmolcas-19.11/doc/source/users.guide/programs/single_aniso.rst:104: The program may be restarted from the ASCII text file :file:`ANISOINPUT` generated by a previous succesful run of the :program:`SINGLE_ANISO` (the name of this file may be specified during execution, see :kword:`REST` keyword below). This file contains all necessary data for :program:`SINGLE_ANISO` as well as for the :program:`POLY_ANISO`. In this case the initial :file:`$WorkDir` may be empty (:file:`RUNFILE` is not necessary).
openmolcas-19.11/doc/source/users.guide/programs/single_aniso.rst-105-
openmolcas-19.11/doc/source/users.guide/programs/single_aniso.rst:106::file:`$Project.aniso`
openmolcas-19.11/doc/source/users.guide/programs/single_aniso.rst:107: The :program:`SINGLE_ANISO` may be restarted from the binary file :file:`$Project.aniso` produced in a previous run. The initial :file:`$WorkDir` may be empty (:file:`RUNFILE` is not necessary).
openmolcas-19.11/doc/source/users.guide/programs/single_aniso.rst-108-
##############################################
openmolcas-19.11/doc/source/users.guide/programs/single_aniso.rst-113-
openmolcas-19.11/doc/source/users.guide/programs/single_aniso.rst:114::file:`$Project.aniso`
openmolcas-19.11/doc/source/users.guide/programs/single_aniso.rst-115- This binary file may be used for restart. It is produced by any successful run of the code.
##############################################
openmolcas-19.11/doc/source/users.guide/programs/single_aniso.rst-499- The keyword is obsolete. The :program:`SINGLE_ANISO` creates by default one ASCII formated text file named :file:`ANISOINPUT`
openmolcas-19.11/doc/source/users.guide/programs/single_aniso.rst:500: and also a binary file named :file:`$Project.Aniso`. Both may be used to restart (or re-run again) the :program:`SINGLE_ANISO` calculation.
openmolcas-19.11/doc/source/users.guide/programs/single_aniso.rst-501-
##############################################
openmolcas-19.11/doc/source/users.guide/programs/wfa.rst-122- Specifies the name of the HDF5 file used for reading and writing
openmolcas-19.11/doc/source/users.guide/programs/wfa.rst:123: (e.g. :file:`$Project.scf.h5`, :file:`$Project.rasscf.h5`, :file:`$Project.rassi.h5`).
openmolcas-19.11/doc/source/users.guide/programs/wfa.rst-124- You either have to use this option or rename the file of
##############################################
openmolcas-19.11/sbin/backtrack-22-if [ -f CMakeCache.txt ]; then
openmolcas-19.11/sbin/backtrack:23: MOLCAS_SOURCEDIR=`grep -i molcas_source CMakeCache.txt | awk -F = '{print $2}'`
openmolcas-19.11/sbin/backtrack-24- CONFIGURE='cmake .'
##############################################
openmolcas-19.11/sbin/changelog-88- print "\n";
openmolcas-19.11/sbin/changelog:89: print `git log --no-merges --date-order --format=" %s" $prev..$curr`;
openmolcas-19.11/sbin/changelog-90- print "\n";
openmolcas-19.11/sbin/changelog:91: print `git diff --stat $prev $curr`;
openmolcas-19.11/sbin/changelog-92- print "\n";
##############################################
openmolcas-19.11/sbin/codecov-101- msg("$me: running lcov to establish a baseline...");
openmolcas-19.11/sbin/codecov:102: system("lcov --quiet --capture --initial --base-directory $MOLCAS --directory $MOLCAS -o $bascov");
openmolcas-19.11/sbin/codecov:103: system("lcov --quiet -a $bascov -o $totcov");
openmolcas-19.11/sbin/codecov-104- msg("done\n");
##############################################
openmolcas-19.11/sbin/codecov-109- msg("$me: run lcov to reset counters...");
openmolcas-19.11/sbin/codecov:110: system("lcov --quiet --zerocounters --base-directory $MOLCAS --directory $MOLCAS");
openmolcas-19.11/sbin/codecov-111- msg("done\n");
##############################################
openmolcas-19.11/sbin/codecov-116- msg("$me: running lcov to obtain code coverage...");
openmolcas-19.11/sbin/codecov:117: system("lcov --quiet --capture --base-directory $MOLCAS --directory $MOLCAS -o $testcov --test-name $opt{name}");
openmolcas-19.11/sbin/codecov:118: system("lcov --quiet -a $testcov -a $totcov -o $totcov");
openmolcas-19.11/sbin/codecov-119- msg("done\n");
##############################################
openmolcas-19.11/sbin/codecov-123- msg("$me: generating html pages for analysis...");
openmolcas-19.11/sbin/codecov:124: system("lcov --quiet -a $bascov -a $totcov -o $netcov --test-name molcas_verify");
openmolcas-19.11/sbin/codecov:125: system("genhtml --quiet --show-details -o $htmldir $netcov");
openmolcas-19.11/sbin/codecov-126- msg("done\n");
##############################################
openmolcas-19.11/sbin/codecov-131-if ($opt{summary}) {
openmolcas-19.11/sbin/codecov:132: system("lcov --summary $netcov");
openmolcas-19.11/sbin/codecov-133-}
##############################################
openmolcas-19.11/sbin/devlog-73- chomp;
openmolcas-19.11/sbin/devlog:74: chomp (my $commit = `git rev-parse $_^{commit}`);
openmolcas-19.11/sbin/devlog-75- $tocom{$_} = $commit;
##############################################
openmolcas-19.11/sbin/devlog-81- chomp;
openmolcas-19.11/sbin/devlog:82: chomp (my $commit = `git rev-parse $_^{commit}`);
openmolcas-19.11/sbin/devlog-83- $rejected{$commit}++;
##############################################
openmolcas-19.11/sbin/devlog-94- my $commit = $tocom{$tag};
openmolcas-19.11/sbin/devlog:95: chomp (my $parents = `git log -n 1 --pretty=%P $commit`);
openmolcas-19.11/sbin/devlog-96- my @parents = split / /, $parents;
##############################################
openmolcas-19.11/sbin/devlog-100- if (@parents == 1) {
openmolcas-19.11/sbin/devlog:101: chomp (my $committer = lc `git log -n 1 --pretty=%ce $commit`);
openmolcas-19.11/sbin/devlog-102- print " - $committer" if $verbose;
##############################################
openmolcas-19.11/sbin/devlog-112- next if $totag{$_};
openmolcas-19.11/sbin/devlog:113: chomp (my $committer = lc `git log -n 1 --pretty=%ce $_`);
openmolcas-19.11/sbin/devlog-114- print " - $committer" if $verbose;
##############################################
openmolcas-19.11/sbin/gtags-68-print "running gtags...";
openmolcas-19.11/sbin/gtags:69:system("gtags --gtagsconf $gtags_conf");
openmolcas-19.11/sbin/gtags-70-print "done\n";
##############################################
openmolcas-19.11/sbin/have_feature-94-while [ -n "$1" ]; do
openmolcas-19.11/sbin/have_feature:95: FEATURE=`echo "$1" | tr '[:upper:]' '[:lower:]'`
openmolcas-19.11/sbin/have_feature-96- case "$FEATURE" in
##############################################
openmolcas-19.11/sbin/install_driver.sh-19-if [ -f $driver_file ] ; then
openmolcas-19.11/sbin/install_driver.sh:20: current_version=`sed -ne 's/\.// ; s/.*Molcas driver shell script version // p' $driver_file`
openmolcas-19.11/sbin/install_driver.sh-21-else
##############################################
openmolcas-19.11/sbin/install_driver.sh-34- if [ -f "$x/molcas" ]; then
openmolcas-19.11/sbin/install_driver.sh:35: l=`sed -ne 's/\.// ; s/.*Molcas driver shell script version // p' "$x/molcas"`
openmolcas-19.11/sbin/install_driver.sh-36- if [ "$l" -lt "$current_version" ]; then
##############################################
openmolcas-19.11/sbin/install_driver.sh-122- # check again the driver was installed
openmolcas-19.11/sbin/install_driver.sh:123: l=`sed -ne 's/\.// ; s/.*Molcas driver shell script version // p' "$x/molcas"`
openmolcas-19.11/sbin/install_driver.sh-124- if [ "$l" -eq "$current_version" -a -x "$MOLCASDRIVER/molcas" ] ; then
##############################################
openmolcas-19.11/sbin/install_pymolcas.sh-25-if [ -f $pymolcas_file ] ; then
openmolcas-19.11/sbin/install_pymolcas.sh:26: current_checksum=`$MD5 $pymolcas_file | awk '{print $1}'`
openmolcas-19.11/sbin/install_pymolcas.sh-27-else
##############################################
openmolcas-19.11/sbin/install_pymolcas.sh-40- if [ -f "$x/pymolcas" ] ; then
openmolcas-19.11/sbin/install_pymolcas.sh:41: l=`$MD5 "$x/pymolcas" | awk '{print $1}'`
openmolcas-19.11/sbin/install_pymolcas.sh-42- if [ "$l" != "$current_checksum" ] ; then
##############################################
openmolcas-19.11/sbin/install_pymolcas.sh-128- # check again the driver was installed
openmolcas-19.11/sbin/install_pymolcas.sh:129: l=`$MD5 "$x/pymolcas" | awk '{print $1}'`
openmolcas-19.11/sbin/install_pymolcas.sh-130- if [ "$l" = "$current_checksum" -a -x "$PYMOLCAS/pymolcas" ] ; then
##############################################
openmolcas-19.11/sbin/makepatch-145-
openmolcas-19.11/sbin/makepatch:146:my $middle_script = `git diff $from_version $to_version`;
openmolcas-19.11/sbin/makepatch-147-
##############################################
openmolcas-19.11/sbin/setmtime-75-# git a list of access times and files
openmolcas-19.11/sbin/setmtime:76:my @logbook = `git whatchanged --pretty=%at $snapshot`;
openmolcas-19.11/sbin/setmtime-77-
##############################################
openmolcas-19.11/sbin/waitlog-51-
openmolcas-19.11/sbin/waitlog:52:print `git log --oneline --decorate --date-order origin/master..$branch`;
openmolcas-19.11/sbin/waitlog-53-
##############################################
openmolcas-19.11/sbin/verify-135-$MOLCAS = $ENV{"MOLCAS"} or $MOLCAS = '/usr/share/openmolcas';
openmolcas-19.11/sbin/verify:136:my $MOLCAS_ID=`cd $MOLCAS ; $MOLCAS_DRIVER version -l`;
openmolcas-19.11/sbin/verify-137-chomp ($MOLCAS_ID);
##############################################
openmolcas-19.11/sbin/verify-163-if (-e File::Spec->catdir ($MOLCAS, 'sbin', 'find_sources')) {
openmolcas-19.11/sbin/verify:164: my $OPENMOLCAS = `. \$MOLCAS/sbin/find_sources ; echo \$OPENMOLCAS_SOURCE`;
openmolcas-19.11/sbin/verify-165- chomp ($OPENMOLCAS);
##############################################
openmolcas-19.11/sbin/verify-332- my $file = File::Spec->catfile($location{$group}, $number . '.input');
openmolcas-19.11/sbin/verify:333: if( $opt{generate} && -f $file) { system ("cp $file $file.bak");}
openmolcas-19.11/sbin/verify-334- push @filelist, $file if (-f $file);
##############################################
openmolcas-19.11/sbin/verify-472-# actually be used to run the tests
openmolcas-19.11/sbin/verify:473:$MOLCAS_ID=`$MOLCAS_DRIVER version -l`;
openmolcas-19.11/sbin/verify-474-chomp ($MOLCAS_ID);
##############################################
openmolcas-19.11/sbin/verify-557- msg("running code coverage startup...");
openmolcas-19.11/sbin/verify:558: system("$MOLCAS_DRIVER codecov -q --start");
openmolcas-19.11/sbin/verify-559- msg_nl("done");
##############################################
openmolcas-19.11/sbin/verify-587- }
openmolcas-19.11/sbin/verify:588: system("$MOLCAS_DRIVER codecov -q --prep") if $opt{cover};
openmolcas-19.11/sbin/verify-589- # start repeated cycles (e.g. when tests fail randomly)
##############################################
openmolcas-19.11/sbin/verify-626- if ($opt{debug}) {
openmolcas-19.11/sbin/verify:627: exec("$MOLCAS_DRIVER $cli_opts $input");
openmolcas-19.11/sbin/verify-628- } else {
openmolcas-19.11/sbin/verify:629: exec("$MOLCAS_DRIVER $cli_opts $input -o $out -e $err");
openmolcas-19.11/sbin/verify-630- }
##############################################
openmolcas-19.11/sbin/verify-684- if ($opt{generate}) {
openmolcas-19.11/sbin/verify:685: my $rc=system("$MOLCAS_DRIVER", "updatetest.plx", $file, File::Spec->catfile ($workdir, 'checkfile'));
openmolcas-19.11/sbin/verify-686- print "rc=",$rc,"\n" if ($rc!=0);
##############################################
openmolcas-19.11/sbin/verify-718- }
openmolcas-19.11/sbin/verify:719: system("$MOLCAS_DRIVER codecov -q --measure --name $project");
openmolcas-19.11/sbin/verify-720- msg_overwrite ('', $prompt) if ($interactive);
##############################################
openmolcas-19.11/sbin/verify-726-
openmolcas-19.11/sbin/verify:727:system("$MOLCAS_DRIVER codecov --html") if ($opt{cover});
openmolcas-19.11/sbin/verify-728-
##############################################
openmolcas-19.11/sbin/verify-1091- my $file = shift;
openmolcas-19.11/sbin/verify:1092: system ("$MOLCAS_DRIVER chkunprint.plx < $file");
openmolcas-19.11/sbin/verify-1093- my $rc = $?;
##############################################
openmolcas-19.11/src/Include/fio.fh-49- & FSCB(MxFile),
openmolcas-19.11/src/Include/fio.fh:50: & Addr(MxFile),
openmolcas-19.11/src/Include/fio.fh-51- & MPUnit(0:MaxSplitFile-1,MxFile),
##############################################
openmolcas-19.11/src/Include/ofio.fh-12- Integer MxAddr
openmolcas-19.11/src/Include/ofio.fh:13: Common /FIO5/ Count(4,MxFile),MxAddr(MxFile)
##############################################
openmolcas-19.11/src/casvb_util/meminit_cvb.f-64- endif
openmolcas-19.11/src/casvb_util/meminit_cvb.f:65: iaddr(nfield)=mstackr_cvb
openmolcas-19.11/src/casvb_util/meminit_cvb.f-66- if(memdebug)write(6,*)' mstackr: nword & pointer :',
##############################################
openmolcas-19.11/src/casvb_util/memman_cvb.fh-14- integer ipAnchr
openmolcas-19.11/src/casvb_util/memman_cvb.fh:15: common /memmani_comcvb/nfield,iaddr(mxfield),ioff_r,ioff_i
openmolcas-19.11/src/casvb_util/memman_cvb.fh-16- logical memdebug
##############################################
openmolcas-19.11/src/casvb_util/mfreer_cvb.f-21- do 100 ifield=1,nfield
openmolcas-19.11/src/casvb_util/mfreer_cvb.f:22: if(iaddr(ifield).eq.ipoint)then
openmolcas-19.11/src/casvb_util/mfreer_cvb.f-23- do 200 jfield=ifield,nfield
openmolcas-19.11/src/casvb_util/mfreer_cvb.f:24: ipoint_g=iaddr(jfield)-ioff_r
openmolcas-19.11/src/casvb_util/mfreer_cvb.f:25: if(memdebug)write(6,*)' Release pointer :',iaddr(jfield)
openmolcas-19.11/src/casvb_util/mfreer_cvb.f-26-200 call getmem('casvb','FREE','REAL',ipoint_g,nword)
##############################################
openmolcas-19.11/src/casvb_util/mfreer_cvb.f-44- do 100 ifield=1,nfield
openmolcas-19.11/src/casvb_util/mfreer_cvb.f:45: if(iaddr(ifield).eq.ipoint)then
openmolcas-19.11/src/casvb_util/mfreer_cvb.f-46- do 200 jfield=ifield,nfield
openmolcas-19.11/src/casvb_util/mfreer_cvb.f:47: ipoint_g=iaddr(jfield)-ioff_r
openmolcas-19.11/src/casvb_util/mfreer_cvb.f:48: if(memdebug)write(6,*)' Release pointer :',iaddr(jfield)
openmolcas-19.11/src/casvb_util/mfreer_cvb.f-49-200 call getmem('casvb','FREE','REAL',ipoint_g,nword)
##############################################
openmolcas-19.11/src/ccsd_util/ccsd.f-218-c MOLCAS IO
openmolcas-19.11/src/ccsd_util/ccsd.f:219: call ddafile (lunrst,2,dum,1,daddr(lunrst))
openmolcas-19.11/src/ccsd_util/ccsd.f-220- energyold=dum(1)
openmolcas-19.11/src/ccsd_util/ccsd.f:221: call idafile (lunrst,2,idum,1,daddr(lunrst))
openmolcas-19.11/src/ccsd_util/ccsd.f-222- niter=idum(1)
##############################################
openmolcas-19.11/src/ccsd_util/ccsd.f-598- if (keyrst.ne.0) then
openmolcas-19.11/src/ccsd_util/ccsd.f:599: call saverest2 (lunrst,energy,niter,iokey,daddr(lunrst))
openmolcas-19.11/src/ccsd_util/ccsd.f-600- end if
##############################################
openmolcas-19.11/src/ccsd_util/ccsd_parautil.f-152-c MOLCAS IO
openmolcas-19.11/src/ccsd_util/ccsd_parautil.f:153: call ddafile (lun,0,vector,lenght,daddr(lun))
openmolcas-19.11/src/ccsd_util/ccsd_parautil.f-154- end if
##############################################
openmolcas-19.11/src/ccsd_util/ccsd_start.f-1298- call daname (lunsta,'INTSTA')
openmolcas-19.11/src/ccsd_util/ccsd_start.f:1299: daddr(lunsta)=0
openmolcas-19.11/src/ccsd_util/ccsd_start.f-1300- end if
##############################################
openmolcas-19.11/src/ccsd_util/filemgr.fh-15- integer filestatus(10:maxfiles)
openmolcas-19.11/src/ccsd_util/filemgr.fh:16: integer daddr(10:maxfiles)
openmolcas-19.11/src/ccsd_util/filemgr.fh-17- character*6 filename(10:maxfiles)
##############################################
openmolcas-19.11/src/ccsd_util/io.f-175-c MOLCAS IO
openmolcas-19.11/src/ccsd_util/io.f:176: call idafile (lun,2,mapd,513*6,daddr(lun))
openmolcas-19.11/src/ccsd_util/io.f:177: call idafile (lun,2,mapi,8*8*8,daddr(lun))
openmolcas-19.11/src/ccsd_util/io.f-178- end if
##############################################
openmolcas-19.11/src/ccsd_util/io.f-226-c MOLCAS IO
openmolcas-19.11/src/ccsd_util/io.f:227: call idafile (lun,1,mapd,513*6,daddr(lun))
openmolcas-19.11/src/ccsd_util/io.f:228: call idafile (lun,1,mapi,8*8*8,daddr(lun))
openmolcas-19.11/src/ccsd_util/io.f-229- end if
##############################################
openmolcas-19.11/src/ccsd_util/io.f-259-c MOLCAS IO
openmolcas-19.11/src/ccsd_util/io.f:260: call ddafile (lun,2,vector,lenght,daddr(lun))
openmolcas-19.11/src/ccsd_util/io.f-261- end if
##############################################
openmolcas-19.11/src/ccsd_util/io.f-291-c MOLCAS IO
openmolcas-19.11/src/ccsd_util/io.f:292: call ddafile (lun,1,vector,lenght,daddr(lun))
openmolcas-19.11/src/ccsd_util/io.f-293- end if
##############################################
openmolcas-19.11/src/ccsd_util/io.f-363- call daname (lun,filename(lun))
openmolcas-19.11/src/ccsd_util/io.f:364: daddr(lun)=0
openmolcas-19.11/src/ccsd_util/io.f-365- end if
##############################################
openmolcas-19.11/src/ccsd_util/io.f-398- nhelp=0
openmolcas-19.11/src/ccsd_util/io.f:399: call idafile (lun,5,[nhelp],1,daddr(lun))
openmolcas-19.11/src/ccsd_util/io.f-400- end if
##############################################
openmolcas-19.11/src/ccsd_util/io.f-491- call daname (lun,filename(lun))
openmolcas-19.11/src/ccsd_util/io.f:492: daddr(lun)=0
openmolcas-19.11/src/ccsd_util/io.f-493- end if
##############################################
openmolcas-19.11/src/ccsd_util/io.f-562- do 200 nhelp=10,maxfiles
openmolcas-19.11/src/ccsd_util/io.f:563: daddr(nhelp)=0
openmolcas-19.11/src/ccsd_util/io.f-564- 200 continue
##############################################
openmolcas-19.11/src/ccsort_util/action.f-126- call daname (lunab,'INTAB')
openmolcas-19.11/src/ccsort_util/action.f:127: daddr(luna1)=0
openmolcas-19.11/src/ccsort_util/action.f:128: daddr(luna2)=0
openmolcas-19.11/src/ccsort_util/action.f:129: daddr(luna3)=0
openmolcas-19.11/src/ccsort_util/action.f:130: daddr(luna4)=0
openmolcas-19.11/src/ccsort_util/action.f:131: daddr(lunab)=0
openmolcas-19.11/src/ccsort_util/action.f-132- end if
##############################################
openmolcas-19.11/src/ccsort_util/action.f-332- t3help1=mapiri(symr,symq,1)
openmolcas-19.11/src/ccsort_util/action.f:333: daddr(lunt3)=T3IntPoss(t3help4)+T3Off(t3help1,symp)
openmolcas-19.11/src/ccsort_util/action.f-334-c
##############################################
openmolcas-19.11/src/ccsort_util/action.f-353- t3help1=mapiri(symr,symq,1)
openmolcas-19.11/src/ccsort_util/action.f:354: daddr(lunt3)=T3IntPoss(t3help4)+T3Off(t3help1,symp)
openmolcas-19.11/src/ccsort_util/action.f-355-c
##############################################
openmolcas-19.11/src/ccsort_util/action.f-727- call daname (lunsta,'INTSTA')
openmolcas-19.11/src/ccsort_util/action.f:728: daddr(lunsta)=0
openmolcas-19.11/src/ccsort_util/action.f-729- end if
##############################################
openmolcas-19.11/src/ccsort_util/files_ccsd.fh-14-c
openmolcas-19.11/src/ccsort_util/files_ccsd.fh:15: integer daddr(1:128)
openmolcas-19.11/src/ccsort_util/files_ccsd.fh-16-c
##############################################
openmolcas-19.11/src/ccsort_util/symmtemp.f-511-c MOLCAS IO
openmolcas-19.11/src/ccsort_util/symmtemp.f:512: call idafile (lun,1,mapd,3078,daddr(lun))
openmolcas-19.11/src/ccsort_util/symmtemp.f:513: call idafile (lun,1,mapi,512,daddr(lun))
openmolcas-19.11/src/ccsort_util/symmtemp.f-514- end if
##############################################
openmolcas-19.11/src/ccsort_util/symmtemp.f-544-c MOLCAS IO
openmolcas-19.11/src/ccsort_util/symmtemp.f:545: call ddafile (lun,1,vector,lenght,daddr(lun))
openmolcas-19.11/src/ccsort_util/symmtemp.f-546- end if
##############################################
openmolcas-19.11/src/ccsort_util/t3reorg.f-78- if (lenght.gt.0) then
openmolcas-19.11/src/ccsort_util/t3reorg.f:79: iaddr=daddr(lunt3)
openmolcas-19.11/src/ccsort_util/t3reorg.f-80- call ddafile (lunt3,1,r(1,1),lenght,iaddr)
##############################################
openmolcas-19.11/src/ccsort_util/t3reorg.f-146- if (lenght.gt.0) then
openmolcas-19.11/src/ccsort_util/t3reorg.f:147: iaddr=daddr(lunt3)
openmolcas-19.11/src/ccsort_util/t3reorg.f-148- call ddafile (lunt3,1,r(1,1,1),lenght,iaddr)
##############################################
openmolcas-19.11/src/ccsort_util/t3reorg.f-628-c1 set address poiter to 0
openmolcas-19.11/src/ccsort_util/t3reorg.f:629: daddr(lunt3)=0
openmolcas-19.11/src/ccsort_util/t3reorg.f-630-c
##############################################
openmolcas-19.11/src/ccsort_util/t3reorg.f-632-c (emulate writing of T3IntPoss)
openmolcas-19.11/src/ccsort_util/t3reorg.f:633: call idafile (lunt3,0,[0],mbas,daddr(lunt3))
openmolcas-19.11/src/ccsort_util/t3reorg.f-634-c
##############################################
openmolcas-19.11/src/ccsort_util/t3reorg.f-647- iorb=iorb+1
openmolcas-19.11/src/ccsort_util/t3reorg.f:648: T3IntPoss(iorb)=daddr(lunt3)
openmolcas-19.11/src/ccsort_util/t3reorg.f-649-c
openmolcas-19.11/src/ccsort_util/t3reorg.f-650-c3.2.2 emulate writing of mapd and mapp
openmolcas-19.11/src/ccsort_util/t3reorg.f:651: call idafile (lunt3,0,[0],513*6,daddr(lunt3))
openmolcas-19.11/src/ccsort_util/t3reorg.f:652: call idafile (lunt3,0,[0],8*8*8,daddr(lunt3))
openmolcas-19.11/src/ccsort_util/t3reorg.f-653-c
##############################################
openmolcas-19.11/src/ccsort_util/t3reorg.f-661- if (i.eq.1) then
openmolcas-19.11/src/ccsort_util/t3reorg.f:662: T3Off(ii,symi)=daddr(lunt3)-T3IntPoss(iorb)
openmolcas-19.11/src/ccsort_util/t3reorg.f-663- end if
##############################################
openmolcas-19.11/src/ccsort_util/t3reorg.f-666- length=mapdri(ii,2)
openmolcas-19.11/src/ccsort_util/t3reorg.f:667: call ddafile (lunt3,0,[0.0d0],length,daddr(lunt3))
openmolcas-19.11/src/ccsort_util/t3reorg.f-668-c
##############################################
openmolcas-19.11/src/cct3_util/t31.fh-123-c5 diska address file
openmolcas-19.11/src/cct3_util/t31.fh:124: integer daddr (1:8)
openmolcas-19.11/src/cct3_util/t31.fh-125-c
##############################################
openmolcas-19.11/src/cct3_util/t3ctl.f-1630- lun=1
openmolcas-19.11/src/cct3_util/t3ctl.f:1631: daddr(lun)=T3IntPoss(num)
openmolcas-19.11/src/cct3_util/t3ctl.f-1632-c
##############################################
openmolcas-19.11/src/cct3_util/t3ctl.f-1634-c
openmolcas-19.11/src/cct3_util/t3ctl.f:1635: call idafile (lun,2,mapdr,513*6,daddr(lun))
openmolcas-19.11/src/cct3_util/t3ctl.f:1636: call idafile (lun,2,mapir,8*8*8,daddr(lun))
openmolcas-19.11/src/cct3_util/t3ctl.f-1637-c
##############################################
openmolcas-19.11/src/cct3_util/t3ctl.f-1648- if (lenght.gt.0) then
openmolcas-19.11/src/cct3_util/t3ctl.f:1649: call ddafile (lun,2,wrk(possr0),lenght,daddr(lun))
openmolcas-19.11/src/cct3_util/t3ctl.f-1650- end if
##############################################
openmolcas-19.11/src/cct3_util/t3ctl.f-1672- call daname (lun,t3nam)
openmolcas-19.11/src/cct3_util/t3ctl.f:1673: daddr(lun)=0
openmolcas-19.11/src/cct3_util/t3ctl.f:1674: call idafile (lun,2,T3IntPoss,maxorb,daddr(lun))
openmolcas-19.11/src/cct3_util/t3ctl.f-1675- call daclos (lun)
##############################################
openmolcas-19.11/src/cct3_util/t3io.f-166-c MOLCAS IO
openmolcas-19.11/src/cct3_util/t3io.f:167: call idafile (lun,2,mapd,513*6,daddr(lun))
openmolcas-19.11/src/cct3_util/t3io.f:168: call idafile (lun,2,mapi,8*8*8,daddr(lun))
openmolcas-19.11/src/cct3_util/t3io.f-169- end if
##############################################
openmolcas-19.11/src/cct3_util/t3io.f-214-c MOLCAS IO
openmolcas-19.11/src/cct3_util/t3io.f:215: call idafile (lun,1,mapd,513*6,daddr(lun))
openmolcas-19.11/src/cct3_util/t3io.f:216: call idafile (lun,1,mapi,8*8*8,daddr(lun))
openmolcas-19.11/src/cct3_util/t3io.f-217- end if
##############################################
openmolcas-19.11/src/cct3_util/t3io.f-244-c MOLCAS IO
openmolcas-19.11/src/cct3_util/t3io.f:245: call ddafile (lun,2,vector,lenght,daddr(lun))
openmolcas-19.11/src/cct3_util/t3io.f-246- end if
##############################################
openmolcas-19.11/src/cct3_util/t3io.f-273-c MOLCAS IO
openmolcas-19.11/src/cct3_util/t3io.f:274: call ddafile (lun,1,vector,lenght,daddr(lun))
openmolcas-19.11/src/cct3_util/t3io.f-275- end if
##############################################
openmolcas-19.11/src/cct3_util/t3start.f-1246- call daname (lunsta,'INTSTA')
openmolcas-19.11/src/cct3_util/t3start.f:1247: daddr(lunsta)=0
openmolcas-19.11/src/cct3_util/t3start.f-1248- end if
##############################################
openmolcas-19.11/src/cct3_util/t3start.f-1346- call daname (lunrst,filerst)
openmolcas-19.11/src/cct3_util/t3start.f:1347: daddr(lunrst)=0
openmolcas-19.11/src/cct3_util/t3start.f-1348- end if
##############################################
openmolcas-19.11/src/cct3_util/t3start.f-1376-c MOLCAS IO
openmolcas-19.11/src/cct3_util/t3start.f:1377: call ddafile (lunrst,2,dum,1,daddr(lunrst))
openmolcas-19.11/src/cct3_util/t3start.f-1378- eccsd=dum(1)
##############################################
openmolcas-19.11/src/cholesky_util/cho_drv.f-173- END IF
openmolcas-19.11/src/cholesky_util/cho_drv.f:174: CALL CHO_P_SETADDR()
openmolcas-19.11/src/cholesky_util/cho_drv.f-175- IF (CHO_SSCREEN) THEN
##############################################
openmolcas-19.11/src/cholesky_util/cho_drv_partwostep.f-176- ! below (Cho_GetZ).
openmolcas-19.11/src/cholesky_util/cho_drv_partwostep.f:177: Call Cho_P_SetAddr()
openmolcas-19.11/src/cholesky_util/cho_drv_partwostep.f-178- Call Cho_DecDrv(Work(kDiag))
##############################################
openmolcas-19.11/src/cholesky_util/cho_p_setaddr.f-10-************************************************************************
openmolcas-19.11/src/cholesky_util/cho_p_setaddr.f:11: SubRoutine Cho_P_SetAddr()
openmolcas-19.11/src/cholesky_util/cho_p_setaddr.f-12-C
##############################################
openmolcas-19.11/src/cholesky_util/cho_p_setaddr.f-51-
openmolcas-19.11/src/cholesky_util/cho_p_setaddr.f:52: Call Cho_SetAddr(iWork(ip_InfRed),iWork(ip_InfVec),
openmolcas-19.11/src/cholesky_util/cho_p_setaddr.f-53- & MaxRed,MaxVec,InfVec_N2,nSym)
##############################################
openmolcas-19.11/src/cholesky_util/cho_setaddr.f-10-************************************************************************
openmolcas-19.11/src/cholesky_util/cho_setaddr.f:11: SUBROUTINE CHO_SETADDR(INFRED,INFVEC,MRED,MVEC,M2,MSYM)
openmolcas-19.11/src/cholesky_util/cho_setaddr.f-12-C
##############################################
openmolcas-19.11/src/delayed_util/delayed.py-137- for i in blas_functions:
openmolcas-19.11/src/delayed_util/delayed.py:138: f.write(''' if (DLAddr(c_funloc(lb_{0}),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/delayed.py-139- write(6,*) '{0} from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/delayed.py-146- for i in lapack_functions:
openmolcas-19.11/src/delayed_util/delayed.py:147: f.write(''' if (DLAddr(c_funloc(lb_{0}),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/delayed.py-148- write(6,*) '{0} from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/delayed.py-155- for i in legacy_functions:
openmolcas-19.11/src/delayed_util/delayed.py:156: f.write(''' if (DLAddr(c_funloc(lb_{0}),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/delayed.py-157- write(6,*) '{0} from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/dlfcn.f90-90- ! dladdr is a Glibc extension, not POSIX
openmolcas-19.11/src/delayed_util/dlfcn.f90:91: FUNCTION DLAddr(funptr,info) RESULT(output) BIND(C,NAME="dladdr")
openmolcas-19.11/src/delayed_util/dlfcn.f90:92: ! int dladdr(void *addr, Dl_info *info)
openmolcas-19.11/src/delayed_util/dlfcn.f90-93- USE ISO_C_BINDING
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-4- !
openmolcas-19.11/src/delayed_util/f5.fh:5: if (DLAddr(c_funloc(lb_caxpy),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-6- write(6,*) 'caxpy from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-9- end if
openmolcas-19.11/src/delayed_util/f5.fh:10: if (DLAddr(c_funloc(lb_cgemm),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-11- write(6,*) 'cgemm from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-14- end if
openmolcas-19.11/src/delayed_util/f5.fh:15: if (DLAddr(c_funloc(lb_dasum),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-16- write(6,*) 'dasum from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-19- end if
openmolcas-19.11/src/delayed_util/f5.fh:20: if (DLAddr(c_funloc(lb_daxpy),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-21- write(6,*) 'daxpy from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-24- end if
openmolcas-19.11/src/delayed_util/f5.fh:25: if (DLAddr(c_funloc(lb_dcabs1),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-26- write(6,*) 'dcabs1 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-29- end if
openmolcas-19.11/src/delayed_util/f5.fh:30: if (DLAddr(c_funloc(lb_dcopy),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-31- write(6,*) 'dcopy from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-34- end if
openmolcas-19.11/src/delayed_util/f5.fh:35: if (DLAddr(c_funloc(lb_ddot),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-36- write(6,*) 'ddot from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-39- end if
openmolcas-19.11/src/delayed_util/f5.fh:40: if (DLAddr(c_funloc(lb_dgemm),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-41- write(6,*) 'dgemm from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-44- end if
openmolcas-19.11/src/delayed_util/f5.fh:45: if (DLAddr(c_funloc(lb_dgemv),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-46- write(6,*) 'dgemv from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-49- end if
openmolcas-19.11/src/delayed_util/f5.fh:50: if (DLAddr(c_funloc(lb_dger),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-51- write(6,*) 'dger from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-54- end if
openmolcas-19.11/src/delayed_util/f5.fh:55: if (DLAddr(c_funloc(lb_dnrm2),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-56- write(6,*) 'dnrm2 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-59- end if
openmolcas-19.11/src/delayed_util/f5.fh:60: if (DLAddr(c_funloc(lb_drot),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-61- write(6,*) 'drot from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-64- end if
openmolcas-19.11/src/delayed_util/f5.fh:65: if (DLAddr(c_funloc(lb_dscal),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-66- write(6,*) 'dscal from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-69- end if
openmolcas-19.11/src/delayed_util/f5.fh:70: if (DLAddr(c_funloc(lb_dspmv),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-71- write(6,*) 'dspmv from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-74- end if
openmolcas-19.11/src/delayed_util/f5.fh:75: if (DLAddr(c_funloc(lb_dspr),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-76- write(6,*) 'dspr from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-79- end if
openmolcas-19.11/src/delayed_util/f5.fh:80: if (DLAddr(c_funloc(lb_dspr2),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-81- write(6,*) 'dspr2 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-84- end if
openmolcas-19.11/src/delayed_util/f5.fh:85: if (DLAddr(c_funloc(lb_dswap),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-86- write(6,*) 'dswap from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-89- end if
openmolcas-19.11/src/delayed_util/f5.fh:90: if (DLAddr(c_funloc(lb_dsymm),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-91- write(6,*) 'dsymm from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-94- end if
openmolcas-19.11/src/delayed_util/f5.fh:95: if (DLAddr(c_funloc(lb_dsymv),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-96- write(6,*) 'dsymv from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-99- end if
openmolcas-19.11/src/delayed_util/f5.fh:100: if (DLAddr(c_funloc(lb_dsyr2),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-101- write(6,*) 'dsyr2 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-104- end if
openmolcas-19.11/src/delayed_util/f5.fh:105: if (DLAddr(c_funloc(lb_dsyr2k),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-106- write(6,*) 'dsyr2k from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-109- end if
openmolcas-19.11/src/delayed_util/f5.fh:110: if (DLAddr(c_funloc(lb_dsyrk),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-111- write(6,*) 'dsyrk from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-114- end if
openmolcas-19.11/src/delayed_util/f5.fh:115: if (DLAddr(c_funloc(lb_dtpmv),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-116- write(6,*) 'dtpmv from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-119- end if
openmolcas-19.11/src/delayed_util/f5.fh:120: if (DLAddr(c_funloc(lb_dtpsv),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-121- write(6,*) 'dtpsv from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-124- end if
openmolcas-19.11/src/delayed_util/f5.fh:125: if (DLAddr(c_funloc(lb_dtrmm),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-126- write(6,*) 'dtrmm from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-129- end if
openmolcas-19.11/src/delayed_util/f5.fh:130: if (DLAddr(c_funloc(lb_dtrmv),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-131- write(6,*) 'dtrmv from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-134- end if
openmolcas-19.11/src/delayed_util/f5.fh:135: if (DLAddr(c_funloc(lb_dtrsm),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-136- write(6,*) 'dtrsm from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-139- end if
openmolcas-19.11/src/delayed_util/f5.fh:140: if (DLAddr(c_funloc(lb_dtrsv),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-141- write(6,*) 'dtrsv from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-144- end if
openmolcas-19.11/src/delayed_util/f5.fh:145: if (DLAddr(c_funloc(lb_dznrm2),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-146- write(6,*) 'dznrm2 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-149- end if
openmolcas-19.11/src/delayed_util/f5.fh:150: if (DLAddr(c_funloc(lb_idamax),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-151- write(6,*) 'idamax from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-154- end if
openmolcas-19.11/src/delayed_util/f5.fh:155: if (DLAddr(c_funloc(lb_lsame),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-156- write(6,*) 'lsame from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-159- end if
openmolcas-19.11/src/delayed_util/f5.fh:160: if (DLAddr(c_funloc(lb_saxpy),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-161- write(6,*) 'saxpy from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-164- end if
openmolcas-19.11/src/delayed_util/f5.fh:165: if (DLAddr(c_funloc(lb_scabs1),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-166- write(6,*) 'scabs1 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-169- end if
openmolcas-19.11/src/delayed_util/f5.fh:170: if (DLAddr(c_funloc(lb_scopy),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-171- write(6,*) 'scopy from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-174- end if
openmolcas-19.11/src/delayed_util/f5.fh:175: if (DLAddr(c_funloc(lb_sgemm),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-176- write(6,*) 'sgemm from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-179- end if
openmolcas-19.11/src/delayed_util/f5.fh:180: if (DLAddr(c_funloc(lb_xerbla),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-181- write(6,*) 'xerbla from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-184- end if
openmolcas-19.11/src/delayed_util/f5.fh:185: if (DLAddr(c_funloc(lb_zaxpy),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-186- write(6,*) 'zaxpy from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-189- end if
openmolcas-19.11/src/delayed_util/f5.fh:190: if (DLAddr(c_funloc(lb_zcopy),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-191- write(6,*) 'zcopy from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-194- end if
openmolcas-19.11/src/delayed_util/f5.fh:195: if (DLAddr(c_funloc(lb_zdotc),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-196- write(6,*) 'zdotc from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-199- end if
openmolcas-19.11/src/delayed_util/f5.fh:200: if (DLAddr(c_funloc(lb_zdscal),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-201- write(6,*) 'zdscal from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-204- end if
openmolcas-19.11/src/delayed_util/f5.fh:205: if (DLAddr(c_funloc(lb_zgemm),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-206- write(6,*) 'zgemm from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-209- end if
openmolcas-19.11/src/delayed_util/f5.fh:210: if (DLAddr(c_funloc(lb_zgemv),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-211- write(6,*) 'zgemv from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-214- end if
openmolcas-19.11/src/delayed_util/f5.fh:215: if (DLAddr(c_funloc(lb_zgerc),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-216- write(6,*) 'zgerc from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-219- end if
openmolcas-19.11/src/delayed_util/f5.fh:220: if (DLAddr(c_funloc(lb_zhemv),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-221- write(6,*) 'zhemv from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-224- end if
openmolcas-19.11/src/delayed_util/f5.fh:225: if (DLAddr(c_funloc(lb_zher2),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-226- write(6,*) 'zher2 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-229- end if
openmolcas-19.11/src/delayed_util/f5.fh:230: if (DLAddr(c_funloc(lb_zher2k),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-231- write(6,*) 'zher2k from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-234- end if
openmolcas-19.11/src/delayed_util/f5.fh:235: if (DLAddr(c_funloc(lb_zhpmv),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-236- write(6,*) 'zhpmv from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-239- end if
openmolcas-19.11/src/delayed_util/f5.fh:240: if (DLAddr(c_funloc(lb_zhpr2),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-241- write(6,*) 'zhpr2 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-244- end if
openmolcas-19.11/src/delayed_util/f5.fh:245: if (DLAddr(c_funloc(lb_zscal),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-246- write(6,*) 'zscal from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-249- end if
openmolcas-19.11/src/delayed_util/f5.fh:250: if (DLAddr(c_funloc(lb_zswap),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-251- write(6,*) 'zswap from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-254- end if
openmolcas-19.11/src/delayed_util/f5.fh:255: if (DLAddr(c_funloc(lb_ztrmm),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-256- write(6,*) 'ztrmm from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-259- end if
openmolcas-19.11/src/delayed_util/f5.fh:260: if (DLAddr(c_funloc(lb_ztrmv),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-261- write(6,*) 'ztrmv from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-267- !
openmolcas-19.11/src/delayed_util/f5.fh:268: if (DLAddr(c_funloc(lb_dbdsdc),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-269- write(6,*) 'dbdsdc from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-272- end if
openmolcas-19.11/src/delayed_util/f5.fh:273: if (DLAddr(c_funloc(lb_dbdsqr),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-274- write(6,*) 'dbdsqr from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-277- end if
openmolcas-19.11/src/delayed_util/f5.fh:278: if (DLAddr(c_funloc(lb_dgebak),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-279- write(6,*) 'dgebak from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-282- end if
openmolcas-19.11/src/delayed_util/f5.fh:283: if (DLAddr(c_funloc(lb_dgebal),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-284- write(6,*) 'dgebal from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-287- end if
openmolcas-19.11/src/delayed_util/f5.fh:288: if (DLAddr(c_funloc(lb_dgebd2),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-289- write(6,*) 'dgebd2 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-292- end if
openmolcas-19.11/src/delayed_util/f5.fh:293: if (DLAddr(c_funloc(lb_dgebrd),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-294- write(6,*) 'dgebrd from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-297- end if
openmolcas-19.11/src/delayed_util/f5.fh:298: if (DLAddr(c_funloc(lb_dgecon),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-299- write(6,*) 'dgecon from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-302- end if
openmolcas-19.11/src/delayed_util/f5.fh:303: if (DLAddr(c_funloc(lb_dgeev),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-304- write(6,*) 'dgeev from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-307- end if
openmolcas-19.11/src/delayed_util/f5.fh:308: if (DLAddr(c_funloc(lb_dgehd2),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-309- write(6,*) 'dgehd2 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-312- end if
openmolcas-19.11/src/delayed_util/f5.fh:313: if (DLAddr(c_funloc(lb_dgehrd),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-314- write(6,*) 'dgehrd from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-317- end if
openmolcas-19.11/src/delayed_util/f5.fh:318: if (DLAddr(c_funloc(lb_dgelq2),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-319- write(6,*) 'dgelq2 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-322- end if
openmolcas-19.11/src/delayed_util/f5.fh:323: if (DLAddr(c_funloc(lb_dgelqf),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-324- write(6,*) 'dgelqf from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-327- end if
openmolcas-19.11/src/delayed_util/f5.fh:328: if (DLAddr(c_funloc(lb_dgels),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-329- write(6,*) 'dgels from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-332- end if
openmolcas-19.11/src/delayed_util/f5.fh:333: if (DLAddr(c_funloc(lb_dgeqr2),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-334- write(6,*) 'dgeqr2 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-337- end if
openmolcas-19.11/src/delayed_util/f5.fh:338: if (DLAddr(c_funloc(lb_dgeqrf),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-339- write(6,*) 'dgeqrf from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-342- end if
openmolcas-19.11/src/delayed_util/f5.fh:343: if (DLAddr(c_funloc(lb_dgesdd),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-344- write(6,*) 'dgesdd from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-347- end if
openmolcas-19.11/src/delayed_util/f5.fh:348: if (DLAddr(c_funloc(lb_dgesv),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-349- write(6,*) 'dgesv from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-352- end if
openmolcas-19.11/src/delayed_util/f5.fh:353: if (DLAddr(c_funloc(lb_dgesvd),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-354- write(6,*) 'dgesvd from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-357- end if
openmolcas-19.11/src/delayed_util/f5.fh:358: if (DLAddr(c_funloc(lb_dgetrf),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-359- write(6,*) 'dgetrf from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-362- end if
openmolcas-19.11/src/delayed_util/f5.fh:363: if (DLAddr(c_funloc(lb_dgetrf2),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-364- write(6,*) 'dgetrf2 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-367- end if
openmolcas-19.11/src/delayed_util/f5.fh:368: if (DLAddr(c_funloc(lb_dgetri),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-369- write(6,*) 'dgetri from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-372- end if
openmolcas-19.11/src/delayed_util/f5.fh:373: if (DLAddr(c_funloc(lb_dgetrs),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-374- write(6,*) 'dgetrs from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-377- end if
openmolcas-19.11/src/delayed_util/f5.fh:378: if (DLAddr(c_funloc(lb_dhseqr),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-379- write(6,*) 'dhseqr from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-382- end if
openmolcas-19.11/src/delayed_util/f5.fh:383: if (DLAddr(c_funloc(lb_disnan),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-384- write(6,*) 'disnan from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-387- end if
openmolcas-19.11/src/delayed_util/f5.fh:388: if (DLAddr(c_funloc(lb_dlabad),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-389- write(6,*) 'dlabad from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-392- end if
openmolcas-19.11/src/delayed_util/f5.fh:393: if (DLAddr(c_funloc(lb_dlabrd),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-394- write(6,*) 'dlabrd from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-397- end if
openmolcas-19.11/src/delayed_util/f5.fh:398: if (DLAddr(c_funloc(lb_dlacn2),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-399- write(6,*) 'dlacn2 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-402- end if
openmolcas-19.11/src/delayed_util/f5.fh:403: if (DLAddr(c_funloc(lb_dlacpy),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-404- write(6,*) 'dlacpy from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-407- end if
openmolcas-19.11/src/delayed_util/f5.fh:408: if (DLAddr(c_funloc(lb_dladiv),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-409- write(6,*) 'dladiv from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-412- end if
openmolcas-19.11/src/delayed_util/f5.fh:413: if (DLAddr(c_funloc(lb_dladiv1),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-414- write(6,*) 'dladiv1 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-417- end if
openmolcas-19.11/src/delayed_util/f5.fh:418: if (DLAddr(c_funloc(lb_dladiv2),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-419- write(6,*) 'dladiv2 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-422- end if
openmolcas-19.11/src/delayed_util/f5.fh:423: if (DLAddr(c_funloc(lb_dlae2),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-424- write(6,*) 'dlae2 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-427- end if
openmolcas-19.11/src/delayed_util/f5.fh:428: if (DLAddr(c_funloc(lb_dlaebz),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-429- write(6,*) 'dlaebz from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-432- end if
openmolcas-19.11/src/delayed_util/f5.fh:433: if (DLAddr(c_funloc(lb_dlaed0),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-434- write(6,*) 'dlaed0 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-437- end if
openmolcas-19.11/src/delayed_util/f5.fh:438: if (DLAddr(c_funloc(lb_dlaed1),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-439- write(6,*) 'dlaed1 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-442- end if
openmolcas-19.11/src/delayed_util/f5.fh:443: if (DLAddr(c_funloc(lb_dlaed2),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-444- write(6,*) 'dlaed2 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-447- end if
openmolcas-19.11/src/delayed_util/f5.fh:448: if (DLAddr(c_funloc(lb_dlaed3),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-449- write(6,*) 'dlaed3 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-452- end if
openmolcas-19.11/src/delayed_util/f5.fh:453: if (DLAddr(c_funloc(lb_dlaed4),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-454- write(6,*) 'dlaed4 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-457- end if
openmolcas-19.11/src/delayed_util/f5.fh:458: if (DLAddr(c_funloc(lb_dlaed5),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-459- write(6,*) 'dlaed5 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-462- end if
openmolcas-19.11/src/delayed_util/f5.fh:463: if (DLAddr(c_funloc(lb_dlaed6),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-464- write(6,*) 'dlaed6 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-467- end if
openmolcas-19.11/src/delayed_util/f5.fh:468: if (DLAddr(c_funloc(lb_dlaed7),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-469- write(6,*) 'dlaed7 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-472- end if
openmolcas-19.11/src/delayed_util/f5.fh:473: if (DLAddr(c_funloc(lb_dlaed8),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-474- write(6,*) 'dlaed8 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-477- end if
openmolcas-19.11/src/delayed_util/f5.fh:478: if (DLAddr(c_funloc(lb_dlaed9),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-479- write(6,*) 'dlaed9 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-482- end if
openmolcas-19.11/src/delayed_util/f5.fh:483: if (DLAddr(c_funloc(lb_dlaeda),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-484- write(6,*) 'dlaeda from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-487- end if
openmolcas-19.11/src/delayed_util/f5.fh:488: if (DLAddr(c_funloc(lb_dlaev2),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-489- write(6,*) 'dlaev2 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-492- end if
openmolcas-19.11/src/delayed_util/f5.fh:493: if (DLAddr(c_funloc(lb_dlaexc),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-494- write(6,*) 'dlaexc from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-497- end if
openmolcas-19.11/src/delayed_util/f5.fh:498: if (DLAddr(c_funloc(lb_dlagtf),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-499- write(6,*) 'dlagtf from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-502- end if
openmolcas-19.11/src/delayed_util/f5.fh:503: if (DLAddr(c_funloc(lb_dlagts),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-504- write(6,*) 'dlagts from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-507- end if
openmolcas-19.11/src/delayed_util/f5.fh:508: if (DLAddr(c_funloc(lb_dlahqr),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-509- write(6,*) 'dlahqr from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-512- end if
openmolcas-19.11/src/delayed_util/f5.fh:513: if (DLAddr(c_funloc(lb_dlahr2),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-514- write(6,*) 'dlahr2 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-517- end if
openmolcas-19.11/src/delayed_util/f5.fh:518: if (DLAddr(c_funloc(lb_dlaisnan),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-519- write(6,*) 'dlaisnan from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-522- end if
openmolcas-19.11/src/delayed_util/f5.fh:523: if (DLAddr(c_funloc(lb_dlaln2),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-524- write(6,*) 'dlaln2 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-527- end if
openmolcas-19.11/src/delayed_util/f5.fh:528: if (DLAddr(c_funloc(lb_dlamc3),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-529- write(6,*) 'dlamc3 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-532- end if
openmolcas-19.11/src/delayed_util/f5.fh:533: if (DLAddr(c_funloc(lb_dlamch),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-534- write(6,*) 'dlamch from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-537- end if
openmolcas-19.11/src/delayed_util/f5.fh:538: if (DLAddr(c_funloc(lb_dlamrg),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-539- write(6,*) 'dlamrg from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-542- end if
openmolcas-19.11/src/delayed_util/f5.fh:543: if (DLAddr(c_funloc(lb_dlaneg),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-544- write(6,*) 'dlaneg from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-547- end if
openmolcas-19.11/src/delayed_util/f5.fh:548: if (DLAddr(c_funloc(lb_dlange),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-549- write(6,*) 'dlange from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-552- end if
openmolcas-19.11/src/delayed_util/f5.fh:553: if (DLAddr(c_funloc(lb_dlansp),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-554- write(6,*) 'dlansp from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-557- end if
openmolcas-19.11/src/delayed_util/f5.fh:558: if (DLAddr(c_funloc(lb_dlanst),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-559- write(6,*) 'dlanst from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-562- end if
openmolcas-19.11/src/delayed_util/f5.fh:563: if (DLAddr(c_funloc(lb_dlansy),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-564- write(6,*) 'dlansy from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-567- end if
openmolcas-19.11/src/delayed_util/f5.fh:568: if (DLAddr(c_funloc(lb_dlanv2),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-569- write(6,*) 'dlanv2 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-572- end if
openmolcas-19.11/src/delayed_util/f5.fh:573: if (DLAddr(c_funloc(lb_dlapy2),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-574- write(6,*) 'dlapy2 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-577- end if
openmolcas-19.11/src/delayed_util/f5.fh:578: if (DLAddr(c_funloc(lb_dlapy3),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-579- write(6,*) 'dlapy3 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-582- end if
openmolcas-19.11/src/delayed_util/f5.fh:583: if (DLAddr(c_funloc(lb_dlaqr0),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-584- write(6,*) 'dlaqr0 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-587- end if
openmolcas-19.11/src/delayed_util/f5.fh:588: if (DLAddr(c_funloc(lb_dlaqr1),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-589- write(6,*) 'dlaqr1 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-592- end if
openmolcas-19.11/src/delayed_util/f5.fh:593: if (DLAddr(c_funloc(lb_dlaqr2),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-594- write(6,*) 'dlaqr2 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-597- end if
openmolcas-19.11/src/delayed_util/f5.fh:598: if (DLAddr(c_funloc(lb_dlaqr3),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-599- write(6,*) 'dlaqr3 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-602- end if
openmolcas-19.11/src/delayed_util/f5.fh:603: if (DLAddr(c_funloc(lb_dlaqr4),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-604- write(6,*) 'dlaqr4 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-607- end if
openmolcas-19.11/src/delayed_util/f5.fh:608: if (DLAddr(c_funloc(lb_dlaqr5),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-609- write(6,*) 'dlaqr5 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-612- end if
openmolcas-19.11/src/delayed_util/f5.fh:613: if (DLAddr(c_funloc(lb_dlar1v),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-614- write(6,*) 'dlar1v from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-617- end if
openmolcas-19.11/src/delayed_util/f5.fh:618: if (DLAddr(c_funloc(lb_dlarf),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-619- write(6,*) 'dlarf from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-622- end if
openmolcas-19.11/src/delayed_util/f5.fh:623: if (DLAddr(c_funloc(lb_dlarfb),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-624- write(6,*) 'dlarfb from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-627- end if
openmolcas-19.11/src/delayed_util/f5.fh:628: if (DLAddr(c_funloc(lb_dlarfg),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-629- write(6,*) 'dlarfg from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-632- end if
openmolcas-19.11/src/delayed_util/f5.fh:633: if (DLAddr(c_funloc(lb_dlarft),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-634- write(6,*) 'dlarft from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-637- end if
openmolcas-19.11/src/delayed_util/f5.fh:638: if (DLAddr(c_funloc(lb_dlarfx),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-639- write(6,*) 'dlarfx from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-642- end if
openmolcas-19.11/src/delayed_util/f5.fh:643: if (DLAddr(c_funloc(lb_dlarnv),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-644- write(6,*) 'dlarnv from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-647- end if
openmolcas-19.11/src/delayed_util/f5.fh:648: if (DLAddr(c_funloc(lb_dlarra),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-649- write(6,*) 'dlarra from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-652- end if
openmolcas-19.11/src/delayed_util/f5.fh:653: if (DLAddr(c_funloc(lb_dlarrb),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-654- write(6,*) 'dlarrb from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-657- end if
openmolcas-19.11/src/delayed_util/f5.fh:658: if (DLAddr(c_funloc(lb_dlarrc),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-659- write(6,*) 'dlarrc from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-662- end if
openmolcas-19.11/src/delayed_util/f5.fh:663: if (DLAddr(c_funloc(lb_dlarrd),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-664- write(6,*) 'dlarrd from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-667- end if
openmolcas-19.11/src/delayed_util/f5.fh:668: if (DLAddr(c_funloc(lb_dlarre),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-669- write(6,*) 'dlarre from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-672- end if
openmolcas-19.11/src/delayed_util/f5.fh:673: if (DLAddr(c_funloc(lb_dlarrf),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-674- write(6,*) 'dlarrf from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-677- end if
openmolcas-19.11/src/delayed_util/f5.fh:678: if (DLAddr(c_funloc(lb_dlarrj),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-679- write(6,*) 'dlarrj from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-682- end if
openmolcas-19.11/src/delayed_util/f5.fh:683: if (DLAddr(c_funloc(lb_dlarrk),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-684- write(6,*) 'dlarrk from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-687- end if
openmolcas-19.11/src/delayed_util/f5.fh:688: if (DLAddr(c_funloc(lb_dlarrr),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-689- write(6,*) 'dlarrr from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-692- end if
openmolcas-19.11/src/delayed_util/f5.fh:693: if (DLAddr(c_funloc(lb_dlarrv),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-694- write(6,*) 'dlarrv from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-697- end if
openmolcas-19.11/src/delayed_util/f5.fh:698: if (DLAddr(c_funloc(lb_dlartg),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-699- write(6,*) 'dlartg from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-702- end if
openmolcas-19.11/src/delayed_util/f5.fh:703: if (DLAddr(c_funloc(lb_dlaruv),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-704- write(6,*) 'dlaruv from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-707- end if
openmolcas-19.11/src/delayed_util/f5.fh:708: if (DLAddr(c_funloc(lb_dlas2),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-709- write(6,*) 'dlas2 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-712- end if
openmolcas-19.11/src/delayed_util/f5.fh:713: if (DLAddr(c_funloc(lb_dlascl),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-714- write(6,*) 'dlascl from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-717- end if
openmolcas-19.11/src/delayed_util/f5.fh:718: if (DLAddr(c_funloc(lb_dlasd0),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-719- write(6,*) 'dlasd0 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-722- end if
openmolcas-19.11/src/delayed_util/f5.fh:723: if (DLAddr(c_funloc(lb_dlasd1),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-724- write(6,*) 'dlasd1 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-727- end if
openmolcas-19.11/src/delayed_util/f5.fh:728: if (DLAddr(c_funloc(lb_dlasd2),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-729- write(6,*) 'dlasd2 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-732- end if
openmolcas-19.11/src/delayed_util/f5.fh:733: if (DLAddr(c_funloc(lb_dlasd3),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-734- write(6,*) 'dlasd3 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-737- end if
openmolcas-19.11/src/delayed_util/f5.fh:738: if (DLAddr(c_funloc(lb_dlasd4),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-739- write(6,*) 'dlasd4 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-742- end if
openmolcas-19.11/src/delayed_util/f5.fh:743: if (DLAddr(c_funloc(lb_dlasd5),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-744- write(6,*) 'dlasd5 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-747- end if
openmolcas-19.11/src/delayed_util/f5.fh:748: if (DLAddr(c_funloc(lb_dlasd6),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-749- write(6,*) 'dlasd6 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-752- end if
openmolcas-19.11/src/delayed_util/f5.fh:753: if (DLAddr(c_funloc(lb_dlasd7),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-754- write(6,*) 'dlasd7 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-757- end if
openmolcas-19.11/src/delayed_util/f5.fh:758: if (DLAddr(c_funloc(lb_dlasd8),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-759- write(6,*) 'dlasd8 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-762- end if
openmolcas-19.11/src/delayed_util/f5.fh:763: if (DLAddr(c_funloc(lb_dlasda),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-764- write(6,*) 'dlasda from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-767- end if
openmolcas-19.11/src/delayed_util/f5.fh:768: if (DLAddr(c_funloc(lb_dlasdq),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-769- write(6,*) 'dlasdq from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-772- end if
openmolcas-19.11/src/delayed_util/f5.fh:773: if (DLAddr(c_funloc(lb_dlasdt),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-774- write(6,*) 'dlasdt from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-777- end if
openmolcas-19.11/src/delayed_util/f5.fh:778: if (DLAddr(c_funloc(lb_dlaset),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-779- write(6,*) 'dlaset from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-782- end if
openmolcas-19.11/src/delayed_util/f5.fh:783: if (DLAddr(c_funloc(lb_dlasq1),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-784- write(6,*) 'dlasq1 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-787- end if
openmolcas-19.11/src/delayed_util/f5.fh:788: if (DLAddr(c_funloc(lb_dlasq2),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-789- write(6,*) 'dlasq2 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-792- end if
openmolcas-19.11/src/delayed_util/f5.fh:793: if (DLAddr(c_funloc(lb_dlasq3),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-794- write(6,*) 'dlasq3 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-797- end if
openmolcas-19.11/src/delayed_util/f5.fh:798: if (DLAddr(c_funloc(lb_dlasq4),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-799- write(6,*) 'dlasq4 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-802- end if
openmolcas-19.11/src/delayed_util/f5.fh:803: if (DLAddr(c_funloc(lb_dlasq5),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-804- write(6,*) 'dlasq5 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-807- end if
openmolcas-19.11/src/delayed_util/f5.fh:808: if (DLAddr(c_funloc(lb_dlasq6),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-809- write(6,*) 'dlasq6 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-812- end if
openmolcas-19.11/src/delayed_util/f5.fh:813: if (DLAddr(c_funloc(lb_dlasr),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-814- write(6,*) 'dlasr from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-817- end if
openmolcas-19.11/src/delayed_util/f5.fh:818: if (DLAddr(c_funloc(lb_dlasrt),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-819- write(6,*) 'dlasrt from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-822- end if
openmolcas-19.11/src/delayed_util/f5.fh:823: if (DLAddr(c_funloc(lb_dlassq),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-824- write(6,*) 'dlassq from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-827- end if
openmolcas-19.11/src/delayed_util/f5.fh:828: if (DLAddr(c_funloc(lb_dlasv2),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-829- write(6,*) 'dlasv2 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-832- end if
openmolcas-19.11/src/delayed_util/f5.fh:833: if (DLAddr(c_funloc(lb_dlaswp),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-834- write(6,*) 'dlaswp from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-837- end if
openmolcas-19.11/src/delayed_util/f5.fh:838: if (DLAddr(c_funloc(lb_dlasy2),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-839- write(6,*) 'dlasy2 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-842- end if
openmolcas-19.11/src/delayed_util/f5.fh:843: if (DLAddr(c_funloc(lb_dlatrd),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-844- write(6,*) 'dlatrd from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-847- end if
openmolcas-19.11/src/delayed_util/f5.fh:848: if (DLAddr(c_funloc(lb_dlatrs),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-849- write(6,*) 'dlatrs from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-852- end if
openmolcas-19.11/src/delayed_util/f5.fh:853: if (DLAddr(c_funloc(lb_dopgtr),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-854- write(6,*) 'dopgtr from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-857- end if
openmolcas-19.11/src/delayed_util/f5.fh:858: if (DLAddr(c_funloc(lb_dopmtr),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-859- write(6,*) 'dopmtr from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-862- end if
openmolcas-19.11/src/delayed_util/f5.fh:863: if (DLAddr(c_funloc(lb_dorg2l),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-864- write(6,*) 'dorg2l from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-867- end if
openmolcas-19.11/src/delayed_util/f5.fh:868: if (DLAddr(c_funloc(lb_dorg2r),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-869- write(6,*) 'dorg2r from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-872- end if
openmolcas-19.11/src/delayed_util/f5.fh:873: if (DLAddr(c_funloc(lb_dorgbr),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-874- write(6,*) 'dorgbr from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-877- end if
openmolcas-19.11/src/delayed_util/f5.fh:878: if (DLAddr(c_funloc(lb_dorghr),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-879- write(6,*) 'dorghr from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-882- end if
openmolcas-19.11/src/delayed_util/f5.fh:883: if (DLAddr(c_funloc(lb_dorgl2),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-884- write(6,*) 'dorgl2 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-887- end if
openmolcas-19.11/src/delayed_util/f5.fh:888: if (DLAddr(c_funloc(lb_dorglq),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-889- write(6,*) 'dorglq from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-892- end if
openmolcas-19.11/src/delayed_util/f5.fh:893: if (DLAddr(c_funloc(lb_dorgql),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-894- write(6,*) 'dorgql from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-897- end if
openmolcas-19.11/src/delayed_util/f5.fh:898: if (DLAddr(c_funloc(lb_dorgqr),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-899- write(6,*) 'dorgqr from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-902- end if
openmolcas-19.11/src/delayed_util/f5.fh:903: if (DLAddr(c_funloc(lb_dorgtr),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-904- write(6,*) 'dorgtr from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-907- end if
openmolcas-19.11/src/delayed_util/f5.fh:908: if (DLAddr(c_funloc(lb_dorm2l),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-909- write(6,*) 'dorm2l from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-912- end if
openmolcas-19.11/src/delayed_util/f5.fh:913: if (DLAddr(c_funloc(lb_dorm2r),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-914- write(6,*) 'dorm2r from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-917- end if
openmolcas-19.11/src/delayed_util/f5.fh:918: if (DLAddr(c_funloc(lb_dormbr),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-919- write(6,*) 'dormbr from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-922- end if
openmolcas-19.11/src/delayed_util/f5.fh:923: if (DLAddr(c_funloc(lb_dormhr),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-924- write(6,*) 'dormhr from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-927- end if
openmolcas-19.11/src/delayed_util/f5.fh:928: if (DLAddr(c_funloc(lb_dorml2),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-929- write(6,*) 'dorml2 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-932- end if
openmolcas-19.11/src/delayed_util/f5.fh:933: if (DLAddr(c_funloc(lb_dormlq),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-934- write(6,*) 'dormlq from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-937- end if
openmolcas-19.11/src/delayed_util/f5.fh:938: if (DLAddr(c_funloc(lb_dormql),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-939- write(6,*) 'dormql from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-942- end if
openmolcas-19.11/src/delayed_util/f5.fh:943: if (DLAddr(c_funloc(lb_dormqr),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-944- write(6,*) 'dormqr from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-947- end if
openmolcas-19.11/src/delayed_util/f5.fh:948: if (DLAddr(c_funloc(lb_dormtr),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-949- write(6,*) 'dormtr from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-952- end if
openmolcas-19.11/src/delayed_util/f5.fh:953: if (DLAddr(c_funloc(lb_dposv),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-954- write(6,*) 'dposv from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-957- end if
openmolcas-19.11/src/delayed_util/f5.fh:958: if (DLAddr(c_funloc(lb_dpotrf),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-959- write(6,*) 'dpotrf from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-962- end if
openmolcas-19.11/src/delayed_util/f5.fh:963: if (DLAddr(c_funloc(lb_dpotrf2),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-964- write(6,*) 'dpotrf2 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-967- end if
openmolcas-19.11/src/delayed_util/f5.fh:968: if (DLAddr(c_funloc(lb_dpotrs),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-969- write(6,*) 'dpotrs from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-972- end if
openmolcas-19.11/src/delayed_util/f5.fh:973: if (DLAddr(c_funloc(lb_dpptrf),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-974- write(6,*) 'dpptrf from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-977- end if
openmolcas-19.11/src/delayed_util/f5.fh:978: if (DLAddr(c_funloc(lb_drscl),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-979- write(6,*) 'drscl from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-982- end if
openmolcas-19.11/src/delayed_util/f5.fh:983: if (DLAddr(c_funloc(lb_dspev),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-984- write(6,*) 'dspev from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-987- end if
openmolcas-19.11/src/delayed_util/f5.fh:988: if (DLAddr(c_funloc(lb_dspgst),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-989- write(6,*) 'dspgst from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-992- end if
openmolcas-19.11/src/delayed_util/f5.fh:993: if (DLAddr(c_funloc(lb_dspgv),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-994- write(6,*) 'dspgv from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-997- end if
openmolcas-19.11/src/delayed_util/f5.fh:998: if (DLAddr(c_funloc(lb_dsptrd),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-999- write(6,*) 'dsptrd from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1002- end if
openmolcas-19.11/src/delayed_util/f5.fh:1003: if (DLAddr(c_funloc(lb_dstebz),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1004- write(6,*) 'dstebz from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1007- end if
openmolcas-19.11/src/delayed_util/f5.fh:1008: if (DLAddr(c_funloc(lb_dstedc),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1009- write(6,*) 'dstedc from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1012- end if
openmolcas-19.11/src/delayed_util/f5.fh:1013: if (DLAddr(c_funloc(lb_dstein),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1014- write(6,*) 'dstein from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1017- end if
openmolcas-19.11/src/delayed_util/f5.fh:1018: if (DLAddr(c_funloc(lb_dstemr),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1019- write(6,*) 'dstemr from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1022- end if
openmolcas-19.11/src/delayed_util/f5.fh:1023: if (DLAddr(c_funloc(lb_dsteqr),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1024- write(6,*) 'dsteqr from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1027- end if
openmolcas-19.11/src/delayed_util/f5.fh:1028: if (DLAddr(c_funloc(lb_dsterf),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1029- write(6,*) 'dsterf from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1032- end if
openmolcas-19.11/src/delayed_util/f5.fh:1033: if (DLAddr(c_funloc(lb_dstevr),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1034- write(6,*) 'dstevr from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1037- end if
openmolcas-19.11/src/delayed_util/f5.fh:1038: if (DLAddr(c_funloc(lb_dsyev),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1039- write(6,*) 'dsyev from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1042- end if
openmolcas-19.11/src/delayed_util/f5.fh:1043: if (DLAddr(c_funloc(lb_dsyevd),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1044- write(6,*) 'dsyevd from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1047- end if
openmolcas-19.11/src/delayed_util/f5.fh:1048: if (DLAddr(c_funloc(lb_dsyevr),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1049- write(6,*) 'dsyevr from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1052- end if
openmolcas-19.11/src/delayed_util/f5.fh:1053: if (DLAddr(c_funloc(lb_dsygs2),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1054- write(6,*) 'dsygs2 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1057- end if
openmolcas-19.11/src/delayed_util/f5.fh:1058: if (DLAddr(c_funloc(lb_dsygst),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1059- write(6,*) 'dsygst from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1062- end if
openmolcas-19.11/src/delayed_util/f5.fh:1063: if (DLAddr(c_funloc(lb_dsygv),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1064- write(6,*) 'dsygv from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1067- end if
openmolcas-19.11/src/delayed_util/f5.fh:1068: if (DLAddr(c_funloc(lb_dsytd2),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1069- write(6,*) 'dsytd2 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1072- end if
openmolcas-19.11/src/delayed_util/f5.fh:1073: if (DLAddr(c_funloc(lb_dsytrd),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1074- write(6,*) 'dsytrd from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1077- end if
openmolcas-19.11/src/delayed_util/f5.fh:1078: if (DLAddr(c_funloc(lb_dtrevc3),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1079- write(6,*) 'dtrevc3 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1082- end if
openmolcas-19.11/src/delayed_util/f5.fh:1083: if (DLAddr(c_funloc(lb_dtrexc),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1084- write(6,*) 'dtrexc from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1087- end if
openmolcas-19.11/src/delayed_util/f5.fh:1088: if (DLAddr(c_funloc(lb_dtrti2),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1089- write(6,*) 'dtrti2 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1092- end if
openmolcas-19.11/src/delayed_util/f5.fh:1093: if (DLAddr(c_funloc(lb_dtrtri),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1094- write(6,*) 'dtrtri from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1097- end if
openmolcas-19.11/src/delayed_util/f5.fh:1098: if (DLAddr(c_funloc(lb_dtrtrs),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1099- write(6,*) 'dtrtrs from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1102- end if
openmolcas-19.11/src/delayed_util/f5.fh:1103: if (DLAddr(c_funloc(lb_ieeeck),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1104- write(6,*) 'ieeeck from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1107- end if
openmolcas-19.11/src/delayed_util/f5.fh:1108: if (DLAddr(c_funloc(lb_iladlc),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1109- write(6,*) 'iladlc from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1112- end if
openmolcas-19.11/src/delayed_util/f5.fh:1113: if (DLAddr(c_funloc(lb_iladlr),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1114- write(6,*) 'iladlr from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1117- end if
openmolcas-19.11/src/delayed_util/f5.fh:1118: if (DLAddr(c_funloc(lb_ilaenv),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1119- write(6,*) 'ilaenv from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1122- end if
openmolcas-19.11/src/delayed_util/f5.fh:1123: if (DLAddr(c_funloc(lb_ilazlc),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1124- write(6,*) 'ilazlc from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1127- end if
openmolcas-19.11/src/delayed_util/f5.fh:1128: if (DLAddr(c_funloc(lb_ilazlr),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1129- write(6,*) 'ilazlr from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1132- end if
openmolcas-19.11/src/delayed_util/f5.fh:1133: if (DLAddr(c_funloc(lb_iparam2stage),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1134- write(6,*) 'iparam2stage from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1137- end if
openmolcas-19.11/src/delayed_util/f5.fh:1138: if (DLAddr(c_funloc(lb_iparmq),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1139- write(6,*) 'iparmq from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1142- end if
openmolcas-19.11/src/delayed_util/f5.fh:1143: if (DLAddr(c_funloc(lb_zheev),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1144- write(6,*) 'zheev from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1147- end if
openmolcas-19.11/src/delayed_util/f5.fh:1148: if (DLAddr(c_funloc(lb_zhetd2),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1149- write(6,*) 'zhetd2 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1152- end if
openmolcas-19.11/src/delayed_util/f5.fh:1153: if (DLAddr(c_funloc(lb_zhetrd),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1154- write(6,*) 'zhetrd from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1157- end if
openmolcas-19.11/src/delayed_util/f5.fh:1158: if (DLAddr(c_funloc(lb_zhpev),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1159- write(6,*) 'zhpev from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1162- end if
openmolcas-19.11/src/delayed_util/f5.fh:1163: if (DLAddr(c_funloc(lb_zhptrd),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1164- write(6,*) 'zhptrd from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1167- end if
openmolcas-19.11/src/delayed_util/f5.fh:1168: if (DLAddr(c_funloc(lb_zlacgv),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1169- write(6,*) 'zlacgv from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1172- end if
openmolcas-19.11/src/delayed_util/f5.fh:1173: if (DLAddr(c_funloc(lb_zladiv),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1174- write(6,*) 'zladiv from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1177- end if
openmolcas-19.11/src/delayed_util/f5.fh:1178: if (DLAddr(c_funloc(lb_zlanhe),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1179- write(6,*) 'zlanhe from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1182- end if
openmolcas-19.11/src/delayed_util/f5.fh:1183: if (DLAddr(c_funloc(lb_zlanhp),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1184- write(6,*) 'zlanhp from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1187- end if
openmolcas-19.11/src/delayed_util/f5.fh:1188: if (DLAddr(c_funloc(lb_zlarf),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1189- write(6,*) 'zlarf from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1192- end if
openmolcas-19.11/src/delayed_util/f5.fh:1193: if (DLAddr(c_funloc(lb_zlarfb),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1194- write(6,*) 'zlarfb from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1197- end if
openmolcas-19.11/src/delayed_util/f5.fh:1198: if (DLAddr(c_funloc(lb_zlarfg),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1199- write(6,*) 'zlarfg from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1202- end if
openmolcas-19.11/src/delayed_util/f5.fh:1203: if (DLAddr(c_funloc(lb_zlarft),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1204- write(6,*) 'zlarft from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1207- end if
openmolcas-19.11/src/delayed_util/f5.fh:1208: if (DLAddr(c_funloc(lb_zlascl),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1209- write(6,*) 'zlascl from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1212- end if
openmolcas-19.11/src/delayed_util/f5.fh:1213: if (DLAddr(c_funloc(lb_zlaset),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1214- write(6,*) 'zlaset from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1217- end if
openmolcas-19.11/src/delayed_util/f5.fh:1218: if (DLAddr(c_funloc(lb_zlasr),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1219- write(6,*) 'zlasr from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1222- end if
openmolcas-19.11/src/delayed_util/f5.fh:1223: if (DLAddr(c_funloc(lb_zlassq),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1224- write(6,*) 'zlassq from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1227- end if
openmolcas-19.11/src/delayed_util/f5.fh:1228: if (DLAddr(c_funloc(lb_zlatrd),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1229- write(6,*) 'zlatrd from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1232- end if
openmolcas-19.11/src/delayed_util/f5.fh:1233: if (DLAddr(c_funloc(lb_zsteqr),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1234- write(6,*) 'zsteqr from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1237- end if
openmolcas-19.11/src/delayed_util/f5.fh:1238: if (DLAddr(c_funloc(lb_zung2l),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1239- write(6,*) 'zung2l from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1242- end if
openmolcas-19.11/src/delayed_util/f5.fh:1243: if (DLAddr(c_funloc(lb_zung2r),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1244- write(6,*) 'zung2r from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1247- end if
openmolcas-19.11/src/delayed_util/f5.fh:1248: if (DLAddr(c_funloc(lb_zungql),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1249- write(6,*) 'zungql from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1252- end if
openmolcas-19.11/src/delayed_util/f5.fh:1253: if (DLAddr(c_funloc(lb_zungqr),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1254- write(6,*) 'zungqr from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1257- end if
openmolcas-19.11/src/delayed_util/f5.fh:1258: if (DLAddr(c_funloc(lb_zungtr),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1259- write(6,*) 'zungtr from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1262- end if
openmolcas-19.11/src/delayed_util/f5.fh:1263: if (DLAddr(c_funloc(lb_zupgtr),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1264- write(6,*) 'zupgtr from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1270- !
openmolcas-19.11/src/delayed_util/f5.fh:1271: if (DLAddr(c_funloc(lb_dgetf2),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1272- write(6,*) 'dgetf2 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/delayed_util/f5.fh-1275- end if
openmolcas-19.11/src/delayed_util/f5.fh:1276: if (DLAddr(c_funloc(lb_dpotf2),c_loc(info)) /= 0) then
openmolcas-19.11/src/delayed_util/f5.fh-1277- write(6,*) 'dpotf2 from: ',c_f_string(info%dli_fname)
##############################################
openmolcas-19.11/src/dkh_old_util/bssint.f-21-#include "RelLight.fh"
openmolcas-19.11/src/dkh_old_util/bssint.f:22: integer ipaddr(3)
openmolcas-19.11/src/dkh_old_util/bssint.f-23- Character*8 Label
##############################################
openmolcas-19.11/src/dkh_old_util/bssint.f-169- nComp=1
openmolcas-19.11/src/dkh_old_util/bssint.f:170: ipaddr(1)=iSS
openmolcas-19.11/src/dkh_old_util/bssint.f-171- If (iPrint.ge.20) Call PrMtrx(Label,[lOper],nComp,ipaddr,Work)
##############################################
openmolcas-19.11/src/dkh_old_util/bssint.f-794- nComp=1
openmolcas-19.11/src/dkh_old_util/bssint.f:795: ipaddr(1)=iH
openmolcas-19.11/src/dkh_old_util/bssint.f-796- If (iPrint.ge.20) Call PrMtrx(Label,[lOper],nComp,ipaddr,Work)
##############################################
openmolcas-19.11/src/dkh_old_util/dkrelint.f-34-#include "relae.fh"
openmolcas-19.11/src/dkh_old_util/dkrelint.f:35: integer ipaddr(3)
openmolcas-19.11/src/dkh_old_util/dkrelint.f-36- Character*8 Label, pXpLbl
##############################################
openmolcas-19.11/src/dkh_old_util/dkrelint.f-243- nComp=1
openmolcas-19.11/src/dkh_old_util/dkrelint.f:244: ipaddr(1)=iSS
openmolcas-19.11/src/dkh_old_util/dkrelint.f-245- If (iPrint.ge.20) Call PrMtrx(Label,[lOper],nComp,ipaddr,Work)
##############################################
openmolcas-19.11/src/dkh_old_util/dkrelint.f-997- nComp=1
openmolcas-19.11/src/dkh_old_util/dkrelint.f:998: ipaddr(1)=iH
openmolcas-19.11/src/dkh_old_util/dkrelint.f-999- If (iPrint.ge.20) Call PrMtrx(Label,[lOper],nComp,ipaddr,Work)
##############################################
openmolcas-19.11/src/dkh_old_util/repmat.f-16-#include "WrkSpc.fh"
openmolcas-19.11/src/dkh_old_util/repmat.f:17: integer icaddr(MxAO),numc(MxAO),ihelp(MxAtom,MxAng),numb(MxAO)
openmolcas-19.11/src/dkh_old_util/repmat.f:18: integer mcaddr(MxAO)
openmolcas-19.11/src/dkh_old_util/repmat.f-19- real*8 bint(*),sint(*)
##############################################
openmolcas-19.11/src/dkh_old_util/repmat.f-27-* auxiliary
openmolcas-19.11/src/dkh_old_util/repmat.f:28:* icaddr(i): adresses in coeff for a symmetry adapted function
openmolcas-19.11/src/dkh_old_util/repmat.f-29-*
##############################################
openmolcas-19.11/src/dkh_old_util/repmat.f-102- numb(k)=nPrimr(ka)
openmolcas-19.11/src/dkh_old_util/repmat.f:103: icaddr(k)=ihelp(ia,la)+(kbias-1)*nPrimr(ka)
openmolcas-19.11/src/dkh_old_util/repmat.f-104- If (k.gt.1.and.kbias.eq.1) numck=numcl+numck
openmolcas-19.11/src/dkh_old_util/repmat.f:105: mcaddr(k)=numck
openmolcas-19.11/src/dkh_old_util/repmat.f-106- numcl=nPrimr(ka)
##############################################
openmolcas-19.11/src/dkh_old_util/repmat.f-123- Write (idbg,*) ' Pointer to contraction vector'
openmolcas-19.11/src/dkh_old_util/repmat.f:124: Write (idbg,'(20i4)') (icaddr(i+ic),i=1,nrBas(iSym))
openmolcas-19.11/src/dkh_old_util/repmat.f-125- Write (idbg,*) ' mcaddr'
openmolcas-19.11/src/dkh_old_util/repmat.f:126: Write (idbg,'(20i4)') (mcaddr(i+ic),i=1,nrBas(iSym))
openmolcas-19.11/src/dkh_old_util/repmat.f-127- ic=ic+nrBas(iSym)
##############################################
openmolcas-19.11/src/dkh_old_util/repmat.f-150- sum=0.0
openmolcas-19.11/src/dkh_old_util/repmat.f:151: ipbasL=mcaddr(ibasL) -1
openmolcas-19.11/src/dkh_old_util/repmat.f-152-* loop over primitives in this contracted function
##############################################
openmolcas-19.11/src/dkh_old_util/repmat.f-154- ipbasL=ipbasL+1
openmolcas-19.11/src/dkh_old_util/repmat.f:155: jpbasL=mcaddr(jbasL) -1
openmolcas-19.11/src/dkh_old_util/repmat.f-156- Do jPrim=1,numb(jbasL)
##############################################
openmolcas-19.11/src/dkh_old_util/repmat.f-161- indb=indbL+(ilarge*(ilarge-1))/2 + ismall
openmolcas-19.11/src/dkh_old_util/repmat.f:162: sum=sum+bint(indb)*rCof(icaddr(ibasL)+iPrim)
openmolcas-19.11/src/dkh_old_util/repmat.f:163: & *rCof(icaddr(jbasL)+jPrim)
openmolcas-19.11/src/dkh_old_util/repmat.f-164- if (idbg.gt.0) Then
openmolcas-19.11/src/dkh_old_util/repmat.f-165- Write (idbg,*) indb,
openmolcas-19.11/src/dkh_old_util/repmat.f:166: & icaddr(ibasL)+iPrim,icaddr(jbasL)+jPrim
openmolcas-19.11/src/dkh_old_util/repmat.f-167- Write (idbg,*) bint(indb),
openmolcas-19.11/src/dkh_old_util/repmat.f:168: & rCof(icaddr(ibasL)+iPrim),
openmolcas-19.11/src/dkh_old_util/repmat.f:169: & rCof(icaddr(jbasL)+jPrim)
openmolcas-19.11/src/dkh_old_util/repmat.f-170- End If
##############################################
openmolcas-19.11/src/dkh_util/dkrelint_dp.f-33-#include "relae.fh"
openmolcas-19.11/src/dkh_util/dkrelint_dp.f:34: integer ipaddr(3)
openmolcas-19.11/src/dkh_util/dkrelint_dp.f-35- Character*8 Label, pXpLbl
##############################################
openmolcas-19.11/src/dkh_util/dkrelint_dp.f-220- nComp=1
openmolcas-19.11/src/dkh_util/dkrelint_dp.f:221: ipaddr(1)=iSS
openmolcas-19.11/src/dkh_util/dkrelint_dp.f-222- If (iPrint.ge.20) Call PrMtrx(Label,[lOper],nComp,ipaddr,Work)
##############################################
openmolcas-19.11/src/dkh_util/dkrelint_dp.f-810- nComp=1
openmolcas-19.11/src/dkh_util/dkrelint_dp.f:811: ipaddr(1)=iH
openmolcas-19.11/src/dkh_util/dkrelint_dp.f-812- If (iPrint.ge.20) Call PrMtrx(Label,[lOper],nComp,ipaddr,Work)
##############################################
openmolcas-19.11/src/ga_util/set_do_parallel.f-21-*> Setting this variable to ``.False.`` will ensure that the code afterwards will be run
openmolcas-19.11/src/ga_util/set_do_parallel.f:22:*> in serial mode even if the job is started with ``$MOLCAS_NPROCS > 1``, i.e. all tasks are done
openmolcas-19.11/src/ga_util/set_do_parallel.f-23-*> on each node, and no synchronization. Setting \c Do_Real_Par to ``.True.`` will cause the
##############################################
openmolcas-19.11/src/gateway_util/name_to_lm.f-24-*> where `nn` is the shell number, `L` is a letter denoting angular
openmolcas-19.11/src/gateway_util/name_to_lm.f:25:*> momentum, `mm` is the absolute value of the \f$ m \f$ number, and `s`
openmolcas-19.11/src/gateway_util/name_to_lm.f-26-*> is the sign of \f$ m \f$.
##############################################
openmolcas-19.11/src/input_util/g_zmatrixconverter.f-23-*> This new code is in the ::StdSewInput routine.
openmolcas-19.11/src/input_util/g_zmatrixconverter.f:24:*> Only the standard basis present in the ``$MOLCAS/basis_library`` are allowed.
openmolcas-19.11/src/input_util/g_zmatrixconverter.f-25-*>
##############################################
openmolcas-19.11/src/io_util/bdafile.f-78- If((iOpt.eq.5).or.(iOpt.eq.10)) then
openmolcas-19.11/src/io_util/bdafile.f:79: Addr(Lu) = 0
openmolcas-19.11/src/io_util/bdafile.f-80- iDisk = 0
##############################################
openmolcas-19.11/src/io_util/bdafile.f-84-C* Dummy write. No I/O is made. Disk address is updated.
openmolcas-19.11/src/io_util/bdafile.f:85: Addr(Lu) = iDisk+lBuf
openmolcas-19.11/src/io_util/bdafile.f:86: iDisk = Addr(Lu)
openmolcas-19.11/src/io_util/bdafile.f-87- goto 1100
##############################################
openmolcas-19.11/src/io_util/bdafile.f-97- Call MpDaFile(Lu,MaxFileSize,iOpt,Buf,lBuf,kDisk)
openmolcas-19.11/src/io_util/bdafile.f:98: Addr(Lu) = jDisk+lBuf
openmolcas-19.11/src/io_util/bdafile.f:99: iDisk = Addr(Lu)
openmolcas-19.11/src/io_util/bdafile.f-100- Else
##############################################
openmolcas-19.11/src/io_util/dafile.f-128-#ifdef _OLD_IO_STAT_
openmolcas-19.11/src/io_util/dafile.f:129: MxAddr(Lu) = Max(MxAddr(Lu),Addr(Lu))
openmolcas-19.11/src/io_util/dafile.f-130- if(iOpt.ne.0) Then
##############################################
openmolcas-19.11/src/io_util/dafile.f-135- iDisk = iDisk+lBuf
openmolcas-19.11/src/io_util/dafile.f:136: Addr(Lu) = iDisk
openmolcas-19.11/src/io_util/dafile.f-137- If ( Trace ) Write (6,*) ' >>> Exit DaFile <<<'
##############################################
openmolcas-19.11/src/io_util/daname_main.f-135- Call SetLuMark(Lu)
openmolcas-19.11/src/io_util/daname_main.f:136: Addr(Lu) = 0
openmolcas-19.11/src/io_util/daname_main.f-137- MPUnit(0,Lu)=Lu
openmolcas-19.11/src/io_util/daname_main.f-138-#ifdef _OLD_IO_STAT_
openmolcas-19.11/src/io_util/daname_main.f:139: MxAddr(Lu) = 0
openmolcas-19.11/src/io_util/daname_main.f-140- Count(1,Lu) = 0
##############################################
openmolcas-19.11/src/io_util/fastio.f-101-* min_Block_length was undefined long ago...
openmolcas-19.11/src/io_util/fastio.f:102: file_size = (DBLE(MxAddr(i))*DBLE(min_Block_length))
openmolcas-19.11/src/io_util/fastio.f-103- & / (1024.0d0)**2
##############################################
openmolcas-19.11/src/io_util/fioinit.f-48- FSCB(i)=0
openmolcas-19.11/src/io_util/fioinit.f:49: Addr(i)=0
openmolcas-19.11/src/io_util/fioinit.f-50- Multi_File(i)=.False.
openmolcas-19.11/src/io_util/fioinit.f-51-#ifdef _OLD_IO_STAT_
openmolcas-19.11/src/io_util/fioinit.f:52: MxAddr(i)=0
openmolcas-19.11/src/io_util/fioinit.f-53- Do j = 1, 4
##############################################
openmolcas-19.11/src/io_util/mpdafile.f-151- Call SetLuMark(Lu_Mod)
openmolcas-19.11/src/io_util/mpdafile.f:152: Addr(Lu_Mod) = 0
openmolcas-19.11/src/io_util/mpdafile.f-153- Multi_File(Lu_Mod)=.True.
##############################################
openmolcas-19.11/src/io_util/mpdafile.f-155-#ifdef _OLD_IO_STAT_
openmolcas-19.11/src/io_util/mpdafile.f:156: MxAddr(Lu_Mod) = 0
openmolcas-19.11/src/io_util/mpdafile.f-157- Count(1,Lu_Mod) = 0
##############################################
openmolcas-19.11/src/io_util/mpdafile.f-213-
openmolcas-19.11/src/io_util/mpdafile.f:214: Addr(Lu_Mod) = 0
openmolcas-19.11/src/io_util/mpdafile.f-215- Multi_File(Lu_Mod)=.True.
##############################################
openmolcas-19.11/src/io_util/mpdafile.f-217-#ifdef _OLD_IO_STAT_
openmolcas-19.11/src/io_util/mpdafile.f:218: MxAddr(Lu_Mod) = 0
openmolcas-19.11/src/io_util/mpdafile.f-219- Count(1,Lu_Mod) = 0
##############################################
openmolcas-19.11/src/lucia_util/adddia_terms.f-89-*
openmolcas-19.11/src/lucia_util/adddia_terms.f:90:*. Obtain alpha strings of sym IASM and type IASPGP
openmolcas-19.11/src/lucia_util/adddia_terms.f-91- CALL GETSTR_TOTSM_SPGP(1,IASPGP,IASM,NAEL,NASTR1,IASTR,
##############################################
openmolcas-19.11/src/lucia_util/diaterms_gas.f-102- IBTP = IBLOCK(2,JBLOCK)
openmolcas-19.11/src/lucia_util/diaterms_gas.f:103: IASM = IBLOCK(3,JBLOCK)
openmolcas-19.11/src/lucia_util/diaterms_gas.f-104- IBSM = IBLOCK(4,JBLOCK)
##############################################
openmolcas-19.11/src/lucia_util/diaterms_gas.f-106- IF(NTEST.GE.20) THEN
openmolcas-19.11/src/lucia_util/diaterms_gas.f:107: WRITE(6,*) ' Block in action : IATP IBTP IASM IBSM ',
openmolcas-19.11/src/lucia_util/diaterms_gas.f-108- & IATP,IBTP,IASM,IBSM
##############################################
openmolcas-19.11/src/lucia_util/diaterms_gas.f-120-*
openmolcas-19.11/src/lucia_util/diaterms_gas.f:121:*. Obtain alpha strings of sym IASM and type IATP
openmolcas-19.11/src/lucia_util/diaterms_gas.f-122- IDUM = 0
##############################################
openmolcas-19.11/src/lucia_util/gasdias.f-113- IBTP = IBLKFO(2,IBLK)
openmolcas-19.11/src/lucia_util/gasdias.f:114: IASM = IBLKFO(3,IBLK)
openmolcas-19.11/src/lucia_util/gasdias.f-115- IBSM = IBLKFO(4,IBLK)
##############################################
openmolcas-19.11/src/lucia_util/gasdias.f-125-*
openmolcas-19.11/src/lucia_util/gasdias.f:126:*. Obtain alpha strings of sym IASM and type IATP
openmolcas-19.11/src/lucia_util/gasdias.f-127- IDUM = 0
##############################################
openmolcas-19.11/src/lucia_util/gasdn2_lucia.f-179- IBTP = IBLOCKL(2,IL)
openmolcas-19.11/src/lucia_util/gasdn2_lucia.f:180: IASM = IBLOCKL(3,IL)
openmolcas-19.11/src/lucia_util/gasdn2_lucia.f-181- IBSM = IBLOCKL(4,IL)
##############################################
openmolcas-19.11/src/lucia_util/gasdn2_lucia.f-183- IF(NTEST.GE.200)
openmolcas-19.11/src/lucia_util/gasdn2_lucia.f:184: & WRITE(6,*) 'IATP IBTP IASM IBSM',IATP,IBTP,IASM,IBSM
openmolcas-19.11/src/lucia_util/gasdn2_lucia.f-185- ISCALE = 0
##############################################
openmolcas-19.11/src/lucia_util/gasdn2_lucia.f-203- JBTP = IBLOCKR(2,IR)
openmolcas-19.11/src/lucia_util/gasdn2_lucia.f:204: JASM = IBLOCKR(3,IR)
openmolcas-19.11/src/lucia_util/gasdn2_lucia.f-205- JBSM = IBLOCKR(4,IR)
openmolcas-19.11/src/lucia_util/gasdn2_lucia.f-206- JOFF = IBLOCKR(5,IR)
openmolcas-19.11/src/lucia_util/gasdn2_lucia.f:207: IF(NTEST.GE.200) WRITE(6,*) ' JATP JBTP JASM JBSM ',
openmolcas-19.11/src/lucia_util/gasdn2_lucia.f-208- & JATP,JBTP,JASM,JBSM
##############################################
openmolcas-19.11/src/lucia_util/gasdn2_lucia.f-216- IBTP = IBLOCKL(2,IL)
openmolcas-19.11/src/lucia_util/gasdn2_lucia.f:217: IASM = IBLOCKL(3,IL)
openmolcas-19.11/src/lucia_util/gasdn2_lucia.f-218- IBSM = IBLOCKL(4,IL)
##############################################
openmolcas-19.11/src/lucia_util/gasdn2_lucia.f-225- DO IPERM = 1, NPERM
openmolcas-19.11/src/lucia_util/gasdn2_lucia.f:226: IIASM = LASM(IPERM)
openmolcas-19.11/src/lucia_util/gasdn2_lucia.f-227- IIBSM = LBSM(IPERM)
##############################################
openmolcas-19.11/src/lucia_util/gasdn2_lucia.f-277- IBTP = IBLOCKL(2,IL)
openmolcas-19.11/src/lucia_util/gasdn2_lucia.f:278: IASM = IBLOCKL(3,IL)
openmolcas-19.11/src/lucia_util/gasdn2_lucia.f-279- IBSM = IBLOCKL(4,IL)
##############################################
openmolcas-19.11/src/lucia_util/gasdn2_lucia.f-289-C write(6,*) ' Loop 9999 ILPERM = ', ILPERM
openmolcas-19.11/src/lucia_util/gasdn2_lucia.f:290: IIASM = LASM(ILPERM)
openmolcas-19.11/src/lucia_util/gasdn2_lucia.f-291- IIBSM = LBSM(ILPERM)
##############################################
openmolcas-19.11/src/lucia_util/gasdn2_lucia.f-310- JBTP = IBLOCKR(2,IR)
openmolcas-19.11/src/lucia_util/gasdn2_lucia.f:311: JASM = IBLOCKR(3,IR)
openmolcas-19.11/src/lucia_util/gasdn2_lucia.f-312- JBSM = IBLOCKR(4,IR)
##############################################
openmolcas-19.11/src/lucia_util/gasdn2_lucia.f-349- WRITE(6,'(A,5I5)')
openmolcas-19.11/src/lucia_util/gasdn2_lucia.f:350: & ' IIASM IIBSM IIATP IIBTP',
openmolcas-19.11/src/lucia_util/gasdn2_lucia.f-351- & IIASM,IIBSM,IIATP,IIBTP
##############################################
openmolcas-19.11/src/lucia_util/gasdn2_lucia.f-353- WRITE(6,'(A,5I5)')
openmolcas-19.11/src/lucia_util/gasdn2_lucia.f:354: & ' JASM JBSM JATP JBTP',
openmolcas-19.11/src/lucia_util/gasdn2_lucia.f-355- & JASM,JBSM,JATP,JBTP
##############################################
openmolcas-19.11/src/lucia_util/gsbbd2b_lucia.f-123- IF(NTEST.GE.600) THEN
openmolcas-19.11/src/lucia_util/gsbbd2b_lucia.f:124: write(6,*) ' IASM JASM IJSM ',IASM,JASM,IJSM
openmolcas-19.11/src/lucia_util/gsbbd2b_lucia.f-125- write(6,*) ' IBSM JBSM KLSM ',IBSM,JBSM,KLSM
##############################################
openmolcas-19.11/src/lucia_util/gsdnbb2_lucia.f-32-*
openmolcas-19.11/src/lucia_util/gsdnbb2_lucia.f:33:* Contributions to density matrix from sigma block (iasm iatp, ibsm ibtp ) and
openmolcas-19.11/src/lucia_util/gsdnbb2_lucia.f:34:* C block (jasm jatp , jbsm, jbtp)
openmolcas-19.11/src/lucia_util/gsdnbb2_lucia.f-35-*
##############################################
openmolcas-19.11/src/lucia_util/gsttbl.f-100-**************
openmolcas-19.11/src/lucia_util/gsttbl.f:101:** IASM > IBSM
openmolcas-19.11/src/lucia_util/gsttbl.f-102-**************
##############################################
openmolcas-19.11/src/lucia_util/gsttbl.f-131-**************
openmolcas-19.11/src/lucia_util/gsttbl.f:132:** IASM = IBSM
openmolcas-19.11/src/lucia_util/gsttbl.f-133-**************
##############################################
openmolcas-19.11/src/lucia_util/gsttbl.f-145- ELSE IF( IATP .LT. IBTP) THEN
openmolcas-19.11/src/lucia_util/gsttbl.f:146:*.. transpose ibtp iasm iatp ibsm block
openmolcas-19.11/src/lucia_util/gsttbl.f-147- IBASE = ICOOSC(IBTP,IATP,IASM)
##############################################
openmolcas-19.11/src/lucia_util/gsttbl.f-152- END IF
openmolcas-19.11/src/lucia_util/gsttbl.f:153: ELSE IF( IASM .LT. IBSM ) THEN
openmolcas-19.11/src/lucia_util/gsttbl.f-154-**************
openmolcas-19.11/src/lucia_util/gsttbl.f:155:** IASM < IBSM
openmolcas-19.11/src/lucia_util/gsttbl.f-156-**************
openmolcas-19.11/src/lucia_util/gsttbl.f:157:*.. transpose ibtp ibsm iatp iasm block
openmolcas-19.11/src/lucia_util/gsttbl.f-158- IF(IDC.LT.4) THEN
##############################################
openmolcas-19.11/src/lucia_util/ngasdt.f-83- LTTS_AS = 0
openmolcas-19.11/src/lucia_util/ngasdt.f:84: DO 300 IASM = 1, NSMST
openmolcas-19.11/src/lucia_util/ngasdt.f-85- IF(IBLTP(IASM).EQ.0) GOTO 300
##############################################
openmolcas-19.11/src/lucia_util/part_civ2.f-137-c IF(ISIMSYM.EQ.1 .AND. ISM. EQ. 1 ) THEN
openmolcas-19.11/src/lucia_util/part_civ2.f:138:c DO IASM = 1, NSMST
openmolcas-19.11/src/lucia_util/part_civ2.f-139-c IBSM = ISMOST(IASM)
##############################################
openmolcas-19.11/src/lucia_util/part_civ2.f-151-*. Should this block be included
openmolcas-19.11/src/lucia_util/part_civ2.f:152: IASM = ISM
openmolcas-19.11/src/lucia_util/part_civ2.f-153- IBSM = ISMOST(IASM)
##############################################
openmolcas-19.11/src/lucia_util/part_civ2.f-166- END IF
openmolcas-19.11/src/lucia_util/part_civ2.f:167:C? WRITE(6,*) ' IASM IBSM IA IB LBLOCKP,LBLOCK' ,
openmolcas-19.11/src/lucia_util/part_civ2.f-168-C? & IASM,IBSM,IA,IB,LBLOCKP,LBLOCK
##############################################
openmolcas-19.11/src/lucia_util/prmblk.f-35-*
openmolcas-19.11/src/lucia_util/prmblk.f:36:* operation * JASM * JBSM * JATP * JBTP * Iperm * Sign *
openmolcas-19.11/src/lucia_util/prmblk.f-37-* *********************************************************************
openmolcas-19.11/src/lucia_util/prmblk.f:38:* * Identity * IASM * IBSM * IATP * IBTP * 0 * 1 *
openmolcas-19.11/src/lucia_util/prmblk.f-39-* * Ml * ISGV(IASM) * ISGV(IBSM) * IATP * IBTP * 0 * PL *
openmolcas-19.11/src/lucia_util/prmblk.f:40:* * Ms * IBSM * IASM * IBTP * IATP * 1 * PS *
openmolcas-19.11/src/lucia_util/prmblk.f-41-* * Ms+Ml * ISGV(IBSM) * ISGV(IASM) * IBTP * IATP * 1 * PS PL*
##############################################
openmolcas-19.11/src/lucia_util/prmblk.f-50-*. To eliminate some compiler warnings
openmolcas-19.11/src/lucia_util/prmblk.f:51: KASM = 0
openmolcas-19.11/src/lucia_util/prmblk.f-52- KBSM = 0
##############################################
openmolcas-19.11/src/lucia_util/prmblk.f-66-*
openmolcas-19.11/src/lucia_util/prmblk.f:67: KASM = IASM
openmolcas-19.11/src/lucia_util/prmblk.f-68- KBSM = IBSM
##############################################
openmolcas-19.11/src/lucia_util/prmblk.f-77-*
openmolcas-19.11/src/lucia_util/prmblk.f:78: KASM = ISGV(IASM)
openmolcas-19.11/src/lucia_util/prmblk.f-79- KBSM = ISGV(IBSM)
##############################################
openmolcas-19.11/src/lucia_util/prmblk.f-92-*
openmolcas-19.11/src/lucia_util/prmblk.f:93: KASM = IBSM
openmolcas-19.11/src/lucia_util/prmblk.f-94- KBSM = IASM
##############################################
openmolcas-19.11/src/lucia_util/prmblk.f-107-*
openmolcas-19.11/src/lucia_util/prmblk.f:108: KASM = ISGV(IBSM)
openmolcas-19.11/src/lucia_util/prmblk.f-109- KBSM = ISGV(IASM)
##############################################
openmolcas-19.11/src/lucia_util/prmblk.f-124- DO 50 LPERM = 1, NPERM
openmolcas-19.11/src/lucia_util/prmblk.f:125: IF(JATP(LPERM).EQ.KATP .AND. JASM(LPERM).EQ.KASM .AND.
openmolcas-19.11/src/lucia_util/prmblk.f-126- & JBTP(LPERM).EQ.KBTP .AND. JBSM(LPERM).EQ.KBSM) INEW = 0
##############################################
openmolcas-19.11/src/lucia_util/prmblk.f-156- IF(NTEST.NE.0) THEN
openmolcas-19.11/src/lucia_util/prmblk.f:157: WRITE(6,'(A,4I4)') ' Blocks obtained from IASM IBSM IATP IBTP ',
openmolcas-19.11/src/lucia_util/prmblk.f-158- & IASM,IBSM,IATP,IBTP
openmolcas-19.11/src/lucia_util/prmblk.f-159- WRITE(6,*)
openmolcas-19.11/src/lucia_util/prmblk.f:160: WRITE(6,'(A)') ' JASM JBSM JATP JBTP Isgn Itrp '
openmolcas-19.11/src/lucia_util/prmblk.f-161- WRITE(6,*)
##############################################
openmolcas-19.11/src/lucia_util/reo_gasdet_s.f-78- IBTP = IBLOCK(2,JBLOCK)
openmolcas-19.11/src/lucia_util/reo_gasdet_s.f:79: IASM = IBLOCK(3,JBLOCK)
openmolcas-19.11/src/lucia_util/reo_gasdet_s.f-80- IBSM = IBLOCK(4,JBLOCK)
##############################################
openmolcas-19.11/src/lucia_util/reo_gasdet_s.f-92-C CONF_GRAPH(IOCC_MIN,IOCC_MAX,NORB,NEL,IARCW,NCONF,ISCR)
openmolcas-19.11/src/lucia_util/reo_gasdet_s.f:93:*. Obtain alpha strings of sym IASM and type IATP
openmolcas-19.11/src/lucia_util/reo_gasdet_s.f-94- IDUM(1) = 0
##############################################
openmolcas-19.11/src/lucia_util/rftts.f-62- IBTP = IBLOCK(2, JBLOCK)
openmolcas-19.11/src/lucia_util/rftts.f:63: IASM = IBLOCK(3, JBLOCK)
openmolcas-19.11/src/lucia_util/rftts.f-64- IBSM = IBLOCK(4, JBLOCK)
##############################################
openmolcas-19.11/src/lucia_util/rftts.f-89-C? write(6,*)
openmolcas-19.11/src/lucia_util/rftts.f:90:C? & ' RFTTS : IATP IBTP IASM IBSM ',IATP,IBTP,IASM,IBSM
openmolcas-19.11/src/lucia_util/rftts.f-91-C? WRITE(6,*)
##############################################
openmolcas-19.11/src/lucia_util/rsbb2bn_lucia.f-151- IF(NTEST.GE.600) THEN
openmolcas-19.11/src/lucia_util/rsbb2bn_lucia.f:152: write(6,*) ' IASM JASM IJSM ',IASM,JASM,IJSM
openmolcas-19.11/src/lucia_util/rsbb2bn_lucia.f-153- write(6,*) ' IBSM JBSM KLSM ',IBSM,JBSM,KLSM
##############################################
openmolcas-19.11/src/lucia_util/rssbcb2.f-36-*
openmolcas-19.11/src/lucia_util/rssbcb2.f:37:* Contributions to sigma block (iasm iatp, ibsm ibtp ) from
openmolcas-19.11/src/lucia_util/rssbcb2.f:38:* C block (jasm jatp , jbsm, jbtp)
openmolcas-19.11/src/lucia_util/rssbcb2.f-39-*
##############################################
openmolcas-19.11/src/lucia_util/rssbcb2.f-144- CALL IWRTMA(JBOC,1,NGAS,1,NGAS)
openmolcas-19.11/src/lucia_util/rssbcb2.f:145: WRITE(6,*) ' IASM IATP JASM JATP ', IASM,IATP,JASM,JATP
openmolcas-19.11/src/lucia_util/rssbcb2.f-146- WRITE(6,*) ' IBSM IBTP JBSM JBTP ', IBSM,IBTP,JBSM,JBTP
##############################################
openmolcas-19.11/src/lucia_util/sblocks.f-188- IBTP = ISBLOCK(2,JSBLOCK)
openmolcas-19.11/src/lucia_util/sblocks.f:189: IASM = ISBLOCK(3,JSBLOCK)
openmolcas-19.11/src/lucia_util/sblocks.f-190- IBSM = ISBLOCK(4,JSBLOCK)
##############################################
openmolcas-19.11/src/lucia_util/sblocks.f-228- JBTP = ICBLOCK(2,JBLOCK)
openmolcas-19.11/src/lucia_util/sblocks.f:229: JASM = ICBLOCK(3,JBLOCK)
openmolcas-19.11/src/lucia_util/sblocks.f-230- JBSM = ICBLOCK(4,JBLOCK)
##############################################
openmolcas-19.11/src/lucia_util/sblocks.f-236- DO IPERM = 1, NPERM
openmolcas-19.11/src/lucia_util/sblocks.f:237: LLASM = LASM(IPERM)
openmolcas-19.11/src/lucia_util/sblocks.f-238- LLBSM = LBSM(IPERM)
##############################################
openmolcas-19.11/src/lucia_util/sblocks.f-246- IBTP = ISBLOCK(2,JSBLOCK)
openmolcas-19.11/src/lucia_util/sblocks.f:247: IASM = ISBLOCK(3,JSBLOCK)
openmolcas-19.11/src/lucia_util/sblocks.f-248- IBSM = ISBLOCK(4,JSBLOCK)
##############################################
openmolcas-19.11/src/lucia_util/sblocks.f-305- JBTP = ICBLOCK(2,ICBLK)
openmolcas-19.11/src/lucia_util/sblocks.f:306: JASM = ICBLOCK(3,ICBLK)
openmolcas-19.11/src/lucia_util/sblocks.f-307- JBSM = ICBLOCK(4,ICBLK)
##############################################
openmolcas-19.11/src/lucia_util/sblocks.f-318- DO 8765 IPERM = NPERM,1, -1
openmolcas-19.11/src/lucia_util/sblocks.f:319: LLASM = LASM(IPERM)
openmolcas-19.11/src/lucia_util/sblocks.f-320- LLBSM = LBSM(IPERM)
##############################################
openmolcas-19.11/src/lucia_util/sblocks.f-343- IBTP = ISBLOCK(2,ISBLK)
openmolcas-19.11/src/lucia_util/sblocks.f:344: IASM = ISBLOCK(3,ISBLK)
openmolcas-19.11/src/lucia_util/sblocks.f-345- IBSM = ISBLOCK(4,ISBLK)
##############################################
openmolcas-19.11/src/lucia_util/sblocks.f-374- WRITE(6,*) ' Next s block in batch : '
openmolcas-19.11/src/lucia_util/sblocks.f:375: write(6,*) ' ISBLK IASM IBSM IATP IBTP'
openmolcas-19.11/src/lucia_util/sblocks.f-376- write(6,'(5I5)') ISBLK,IASM,IBSM,IATP,IBTP
##############################################
openmolcas-19.11/src/lucia_util/sblocks.f-387- WRITE(6,*) ' ISOFF ', ISOFF
openmolcas-19.11/src/lucia_util/sblocks.f:388: WRITE(6,*) ' ISBLK IASM IBSM IATP IBTP'
openmolcas-19.11/src/lucia_util/sblocks.f-389- WRITE(6,'(5I5)') ISBLK,IASM,IBSM,IATP,IBTP
openmolcas-19.11/src/lucia_util/sblocks.f-390- WRITE(6,*) ' C block : '
openmolcas-19.11/src/lucia_util/sblocks.f:391: WRITE(6,*) ' ICBLK LLASM LLBSM LLATP LLBTP'
openmolcas-19.11/src/lucia_util/sblocks.f-392- WRITE(6,'(5I5)') ICBLK,LLASM,LLBSM,LLATP,LLBTP
##############################################
openmolcas-19.11/src/lucia_util/sblocks.f-471- IBTP = ISBLOCK(2,ISBLK)
openmolcas-19.11/src/lucia_util/sblocks.f:472: IASM = ISBLOCK(3,ISBLK)
openmolcas-19.11/src/lucia_util/sblocks.f-473- IBSM = ISBLOCK(4,ISBLK)
##############################################
openmolcas-19.11/src/lucia_util/scdtts.f-56- IBTP = IBLOCK(2, JBLOCK)
openmolcas-19.11/src/lucia_util/scdtts.f:57: IASM = IBLOCK(3, JBLOCK)
openmolcas-19.11/src/lucia_util/scdtts.f-58- IBSM = IBLOCK(4, JBLOCK)
##############################################
openmolcas-19.11/src/lucia_util/sdcmrf.f-125-
openmolcas-19.11/src/lucia_util/sdcmrf.f:126: WRITE(6,'(A,6I4)') ' IWAY IATP IBTP IASM IBSM IDC ',
openmolcas-19.11/src/lucia_util/sdcmrf.f-127- & IWAY,IATP,IBTP,IASM,IBSM,IDC
##############################################
openmolcas-19.11/src/lucia_util/t_to_nk_vecs.f-45- IBTP = IBLOCK(2,JBLOCK)
openmolcas-19.11/src/lucia_util/t_to_nk_vecs.f:46: IASM = IBLOCK(3,JBLOCK)
openmolcas-19.11/src/lucia_util/t_to_nk_vecs.f-47- IBSM = IBLOCK(4,JBLOCK)
openmolcas-19.11/src/lucia_util/t_to_nk_vecs.f:48:C? WRITE(6,*) ' IATP IBTP IASM IBSM ', IATP,IBTP,IASM,IBSM
openmolcas-19.11/src/lucia_util/t_to_nk_vecs.f:49:*. Obtain alpha strings of sym IASM and type IATP
openmolcas-19.11/src/lucia_util/t_to_nk_vecs.f-50- IDUM(1) = 0
##############################################
openmolcas-19.11/src/lucia_util/wrtrs2.f-24- IBASE = 1
openmolcas-19.11/src/lucia_util/wrtrs2.f:25: DO 1000 IASM = 1, NSMST
openmolcas-19.11/src/lucia_util/wrtrs2.f-26- IBSM = ISMOST(IASM)
##############################################
openmolcas-19.11/src/lucia_util/wrtrs2.f-44- WRITE(6,'(A,3I3)')
openmolcas-19.11/src/lucia_util/wrtrs2.f:45: & ' Iasm iatp ibtp : ', IASM,IATP,IBTP
openmolcas-19.11/src/lucia_util/wrtrs2.f-46- WRITE(6,'(A)')
##############################################
openmolcas-19.11/src/lucia_util/wrtrs2.f-54- WRITE(6,'(A,3I3)')
openmolcas-19.11/src/lucia_util/wrtrs2.f:55: & ' Iasm iatp ibtp : ', IASM,IATP,IBTP
openmolcas-19.11/src/lucia_util/wrtrs2.f-56- WRITE(6,'(A)')
##############################################
openmolcas-19.11/src/lucia_util/wrttts.f-40- IBTP = IBLOCK(2, JBLOCK)
openmolcas-19.11/src/lucia_util/wrttts.f:41: IASM = IBLOCK(3, JBLOCK)
openmolcas-19.11/src/lucia_util/wrttts.f-42- IBSM = IBLOCK(4, JBLOCK)
##############################################
openmolcas-19.11/src/lucia_util/wrttts.f-58- NIB = NSBSO(IBSM,IBTP)
openmolcas-19.11/src/lucia_util/wrttts.f:59:C? write(6,*) ' iatp ibtp iasm ibsm nia nib ',
openmolcas-19.11/src/lucia_util/wrttts.f-60-C? & iatp,ibtp,iasm,ibsm,nia,nib
##############################################
openmolcas-19.11/src/lucia_util/wrttts.f-65- WRITE(6,'(A,3I3)')
openmolcas-19.11/src/lucia_util/wrttts.f:66: & ' Iasm iatp ibtp : ', IASM,IATP,IBTP
openmolcas-19.11/src/lucia_util/wrttts.f-67- WRITE(6,'(A)')
##############################################
openmolcas-19.11/src/lucia_util/wrttts.f-74- WRITE(6,'(A,3I3)')
openmolcas-19.11/src/lucia_util/wrttts.f:75: & ' Iasm iatp ibtp : ', IASM,IATP,IBTP
openmolcas-19.11/src/lucia_util/wrttts.f-76- WRITE(6,'(A)')
##############################################
openmolcas-19.11/src/mclr/cidia4.f-66- IF(LUDIA.NE.0) REWIND LUDIA
openmolcas-19.11/src/mclr/cidia4.f:67: DO 1000 IASM = 1, NSMST
openmolcas-19.11/src/mclr/cidia4.f-68- IBSM = ISMOST(IASM)
##############################################
openmolcas-19.11/src/mclr/csf.f-2040- XNCOMB = 0.0D0
openmolcas-19.11/src/mclr/csf.f:2041: DO 300 IASM = 1, NSMST
openmolcas-19.11/src/mclr/csf.f-2042- IF(IBLTP(IASM).EQ.0) GOTO 300
##############################################
openmolcas-19.11/src/mclr/gasdn2.f-207- ISOFF = 1
openmolcas-19.11/src/mclr/gasdn2.f:208: IASM = ISSTSM
openmolcas-19.11/src/mclr/gasdn2.f-209- IATP = ISSTTA
##############################################
openmolcas-19.11/src/mclr/gasdn2.f-218- DO 9999 ILPERM = 1, NLPERM
openmolcas-19.11/src/mclr/gasdn2.f:219: IIASM = LASM(ILPERM)
openmolcas-19.11/src/mclr/gasdn2.f-220- IIBSM = LBSM(ILPERM)
##############################################
openmolcas-19.11/src/mclr/gasdn2.f-234-
openmolcas-19.11/src/mclr/gasdn2.f:235: JASM = ICSTSM
openmolcas-19.11/src/mclr/gasdn2.f-236- JATP = ICSTTA
##############################################
openmolcas-19.11/src/mclr/gasdn2.f-261- & CALL SCALVE(CB(ICOFF),-1.0D0,NJA*NJB)
openmolcas-19.11/src/mclr/gasdn2.f:262: JJASM = RASM(IRPERM)
openmolcas-19.11/src/mclr/gasdn2.f-263- JJBSM = RBSM(IRPERM)
##############################################
openmolcas-19.11/src/mclr/gsdnbb2.f-25-*
openmolcas-19.11/src/mclr/gsdnbb2.f:26:* Contributions to density matrix from sigma block (iasm iatp, ibsm ibtp ) and
openmolcas-19.11/src/mclr/gsdnbb2.f:27:* C block (jasm jatp , jbsm, jbtp)
openmolcas-19.11/src/mclr/gsdnbb2.f-28-*
##############################################
openmolcas-19.11/src/mclr/gsttbl.f-56-**************
openmolcas-19.11/src/mclr/gsttbl.f:57:** IASM > IBSM
openmolcas-19.11/src/mclr/gsttbl.f-58-**************
##############################################
openmolcas-19.11/src/mclr/gsttbl.f-84-**************
openmolcas-19.11/src/mclr/gsttbl.f:85:** IASM = IBSM
openmolcas-19.11/src/mclr/gsttbl.f-86-**************
##############################################
openmolcas-19.11/src/mclr/gsttbl.f-97- ELSE IF( IATP .LT. IBTP) THEN
openmolcas-19.11/src/mclr/gsttbl.f:98:*.. transpose ibtp iasm iatp ibsm block
openmolcas-19.11/src/mclr/gsttbl.f-99- IBASE = ICOOSC(IBTP,IATP,IASM)
##############################################
openmolcas-19.11/src/mclr/gsttbl.f-104- END IF
openmolcas-19.11/src/mclr/gsttbl.f:105: ELSE IF( IASM .LT. IBSM ) THEN
openmolcas-19.11/src/mclr/gsttbl.f-106-**************
openmolcas-19.11/src/mclr/gsttbl.f:107:** IASM < IBSM
openmolcas-19.11/src/mclr/gsttbl.f-108-**************
openmolcas-19.11/src/mclr/gsttbl.f:109:*.. transpose ibtp ibsm iatp iasm block
openmolcas-19.11/src/mclr/gsttbl.f-110- IF(IDC.LT.4) THEN
##############################################
openmolcas-19.11/src/mclr/nxtblk.f-51- IBTP = IB
openmolcas-19.11/src/mclr/nxtblk.f:52: IASM = ISM
openmolcas-19.11/src/mclr/nxtblk.f-53-*
##############################################
openmolcas-19.11/src/mclr/psttbl.f-16-* to vector packed in combination format
openmolcas-19.11/src/mclr/psttbl.f:17:* iatp,iasm , ibtp,ibsm is assumed to be allowed combination block
openmolcas-19.11/src/mclr/psttbl.f-18-*
##############################################
openmolcas-19.11/src/mclr/psttbl.f-48-**************
openmolcas-19.11/src/mclr/psttbl.f:49:** IASM > IBSM
openmolcas-19.11/src/mclr/psttbl.f-50-**************
##############################################
openmolcas-19.11/src/mclr/psttbl.f-83-**************
openmolcas-19.11/src/mclr/psttbl.f:84:** IASM = IBSM
openmolcas-19.11/src/mclr/psttbl.f-85-**************
##############################################
openmolcas-19.11/src/mclr/rassg4.f-232- ISOFF = 1
openmolcas-19.11/src/mclr/rassg4.f:233: IASM = ISSTSM
openmolcas-19.11/src/mclr/rassg4.f-234- IATP = ISSTTA
##############################################
openmolcas-19.11/src/mclr/rassg4.f-241- IF(NIA.NE.0.AND.NIB.NE.0) THEN
openmolcas-19.11/src/mclr/rassg4.f:242: JASM = ICSTSM
openmolcas-19.11/src/mclr/rassg4.f-243- JATP = ICSTTA
##############################################
openmolcas-19.11/src/mclr/rassg4.f-262- DO 8765 IPERM = 1, NPERM
openmolcas-19.11/src/mclr/rassg4.f:263: LLASM = LASM(IPERM)
openmolcas-19.11/src/mclr/rassg4.f-264- LLBSM = LBSM(IPERM)
##############################################
openmolcas-19.11/src/mclr/rassg4.f-354-C
openmolcas-19.11/src/mclr/rassg4.f:355: I1ASM = ISSTSM
openmolcas-19.11/src/mclr/rassg4.f-356- I1TA = ISSTTA
##############################################
openmolcas-19.11/src/mclr/rssbcbn.f-25-*
openmolcas-19.11/src/mclr/rssbcbn.f:26:* Contributions to sigma block (iasm iatp, ibsm ibtp ) from
openmolcas-19.11/src/mclr/rssbcbn.f:27:* C block (jasm jatp , jbsm, jbtp)
openmolcas-19.11/src/mclr/rssbcbn.f-28-*
##############################################
openmolcas-19.11/src/mclr/rssbcbn_td.f-25-*
openmolcas-19.11/src/mclr/rssbcbn_td.f:26:* Contributions to sigma block (iasm iatp, ibsm ibtp ) from
openmolcas-19.11/src/mclr/rssbcbn_td.f:27:* C block (jasm jatp , jbsm, jbtp)
openmolcas-19.11/src/mclr/rssbcbn_td.f-28-*
##############################################
openmolcas-19.11/src/mclr/scdtc2.f-41- IBASE = 1
openmolcas-19.11/src/mclr/scdtc2.f:42: DO 200 IASM = 1, NSMST
openmolcas-19.11/src/mclr/scdtc2.f-43-*
##############################################
openmolcas-19.11/src/mclr/wrtrs2.f-24- IBASE = 1
openmolcas-19.11/src/mclr/wrtrs2.f:25: DO 1000 IASM = 1, NSMST
openmolcas-19.11/src/mclr/wrtrs2.f-26- IBSM = ISMOST(IASM)
##############################################
openmolcas-19.11/src/mclr/wrtrs2.f-44- WRITE(6,'(A,3I3)')
openmolcas-19.11/src/mclr/wrtrs2.f:45: & ' Iasm iatp ibtp : ', IASM,IATP,IBTP
openmolcas-19.11/src/mclr/wrtrs2.f-46- WRITE(6,'(A)')
##############################################
openmolcas-19.11/src/mclr/wrtrs2.f-60- WRITE(6,'(A,3I3)')
openmolcas-19.11/src/mclr/wrtrs2.f:61: & ' Iasm iatp ibtp : ', IASM,IATP,IBTP
openmolcas-19.11/src/mclr/wrtrs2.f-62- WRITE(6,'(A)')
##############################################
openmolcas-19.11/src/qcmaquis/get_qcmaquis.sh-23-curl -s -L -X GET -c cookies.txt $url > /dev/null
openmolcas-19.11/src/qcmaquis/get_qcmaquis.sh:24:csrf_token=`grep 'csrftoken' cookies.txt | awk '{print $7}'`
openmolcas-19.11/src/qcmaquis/get_qcmaquis.sh-25-
##############################################
openmolcas-19.11/src/ri_util/inicho_ri.f-161- XnPass = 0 ! it should be zeroed in Cho_Inp, but just in case.
openmolcas-19.11/src/ri_util/inicho_ri.f:162: Call Cho_SetAddr(iWork(ip_InfRed),iWork(ip_infVec),MaxRed,MaxVec,
openmolcas-19.11/src/ri_util/inicho_ri.f-163- & InfVec_N2,nSym)
##############################################
openmolcas-19.11/src/scf/lnklst.f-22-* the following info: *
openmolcas-19.11/src/scf/lnklst.f:23:* CNOD: addr(CNOD) -> error code, if 0: op performed OK *
openmolcas-19.11/src/scf/lnklst.f:24:* addr(CNOD)+1 -> ptr to first NODE in list (iroot) *
openmolcas-19.11/src/scf/lnklst.f:25:* addr(CNOD)+2 -> actual length of list (lislen) *
openmolcas-19.11/src/scf/lnklst.f:26:* addr(CNOD)+3 -> # of vectors wished to keep in memory *
openmolcas-19.11/src/scf/lnklst.f-27-* (incore) *
openmolcas-19.11/src/scf/lnklst.f:28:* addr(CNOD)+4 -> unused yet *
openmolcas-19.11/src/scf/lnklst.f:29:* addr(CNOD)+5 -> unused yet *
openmolcas-19.11/src/scf/lnklst.f-30-* One NODE of the linked list itself contains six integers and is *
openmolcas-19.11/src/scf/lnklst.f-31-* organized as follows: *
openmolcas-19.11/src/scf/lnklst.f:32:* NODE: addr(NODE) -> ptr to next node *
openmolcas-19.11/src/scf/lnklst.f:33:* addr(NODE)+1 -> ptr to stored vector *
openmolcas-19.11/src/scf/lnklst.f:34:* addr(NODE)+2 -> next free position, if on disk *
openmolcas-19.11/src/scf/lnklst.f-35-* unused otherwise *
openmolcas-19.11/src/scf/lnklst.f:36:* addr(NODE)+3 -> length of vector *
openmolcas-19.11/src/scf/lnklst.f:37:* addr(NODE)+4 -> iteration number *
openmolcas-19.11/src/scf/lnklst.f:38:* addr(NODE)+5 -> 1, if in core; 0, if on disk *
openmolcas-19.11/src/scf/lnklst.f-39-* The 11 subroutines and functions operating on the linked lists have *
##############################################
openmolcas-19.11/src/seward/tr_prm_cnt.f-17-#include "real.fh"
openmolcas-19.11/src/seward/tr_prm_cnt.f:18: Integer icaddr(MxAO),numc(MxAO),ihelp(MxAtom,MxAng),numb(MxAO),
openmolcas-19.11/src/seward/tr_prm_cnt.f:19: & mcaddr(MxAO), nBas_Cont(8), nBas_Prim(0:7)
openmolcas-19.11/src/seward/tr_prm_cnt.f-20- Logical New_Center,New_l,New_m, Old_Center, Old_l
##############################################
openmolcas-19.11/src/seward/tr_prm_cnt.f-28-* auxiliary
openmolcas-19.11/src/seward/tr_prm_cnt.f:29:* icaddr(i): adresses in coeff for a symmetry adapted function
openmolcas-19.11/src/seward/tr_prm_cnt.f-30-*
##############################################
openmolcas-19.11/src/seward/tr_prm_cnt.f-111- numb(k)=nPrimr(ka)
openmolcas-19.11/src/seward/tr_prm_cnt.f:112: icaddr(k)=ihelp(ia,la)+(kbias-1)*nPrimr(ka)
openmolcas-19.11/src/seward/tr_prm_cnt.f-113- If (k.gt.1.and.kbias.eq.1) numck=numcl+numck
openmolcas-19.11/src/seward/tr_prm_cnt.f:114: mcaddr(k)=numck
openmolcas-19.11/src/seward/tr_prm_cnt.f-115- numcl=nPrimr(ka)
##############################################
openmolcas-19.11/src/seward/tr_prm_cnt.f-132- Write (idbg,*) ' Pointer to contraction vector'
openmolcas-19.11/src/seward/tr_prm_cnt.f:133: Write (idbg,'(20i4)') (icaddr(i+ic),i=1,nBas_Cont(iSym))
openmolcas-19.11/src/seward/tr_prm_cnt.f-134- Write (idbg,*) ' mcaddr'
openmolcas-19.11/src/seward/tr_prm_cnt.f:135: Write (idbg,'(20i4)') (mcaddr(i+ic),i=1,nBas_Cont(iSym))
openmolcas-19.11/src/seward/tr_prm_cnt.f-136- ic=ic+nBas_Cont(iSym)
##############################################
openmolcas-19.11/src/seward/tr_prm_cnt.f-164- ibasL=ibasL+1
openmolcas-19.11/src/seward/tr_prm_cnt.f:165: ipbasL=mcaddr(ibasL) -1
openmolcas-19.11/src/seward/tr_prm_cnt.f-166-*
##############################################
openmolcas-19.11/src/seward/tr_prm_cnt.f-172-c Write (*,*) iBas,ipbasL
openmolcas-19.11/src/seward/tr_prm_cnt.f:173: Tr(index)=rCof(icaddr(ibasL)+iPrim)
openmolcas-19.11/src/seward/tr_prm_cnt.f-174-*
##############################################
openmolcas-19.11/test/exhaustive/basis.input-12-* if [ "${basis%basis.tbl}" = "$basis" ] ; then
openmolcas-19.11/test/exhaustive/basis.input:13:* list=`sed -n 's/^\///p' $basis`
openmolcas-19.11/test/exhaustive/basis.input-14-* else
openmolcas-19.11/test/exhaustive/basis.input:15:* list=`sed -n 's/^\([^# ]\+\).*/\1/p' $basis`
openmolcas-19.11/test/exhaustive/basis.input-16-* fi
##############################################
openmolcas-19.11/test/exhaustive/ecp.input-9-* test -d $basis && continue
openmolcas-19.11/test/exhaustive/ecp.input:10:* for atom in `sed -n 's/^\///p' $basis` ; do
openmolcas-19.11/test/exhaustive/ecp.input-11-* sym=${atom%%.*}
##############################################
openmolcas-19.11/debian/patches/verify_default_directories.patch-12-+$MOLCAS = $ENV{"MOLCAS"} or $MOLCAS = '/usr/share/openmolcas';
openmolcas-19.11/debian/patches/verify_default_directories.patch:13: my $MOLCAS_ID=`cd $MOLCAS ; $MOLCAS_DRIVER version -l`;
openmolcas-19.11/debian/patches/verify_default_directories.patch-14- chomp ($MOLCAS_ID);
##############################################
openmolcas-19.11/.pc/mkl_library_dir.patch/CMakeLists.txt-2659- # if (EXISTS ${PROJECT_SOURCE_DIR}/${${util}_src}/custom.cmake)
openmolcas-19.11/.pc/mkl_library_dir.patch/CMakeLists.txt:2660: # include(${PROJECT_SOURCE_DIR}/${${util}_src}/custom.cmake)
openmolcas-19.11/.pc/mkl_library_dir.patch/CMakeLists.txt-2661- # endif ()
##############################################
openmolcas-19.11/.pc/verify_default_directories.patch/sbin/verify-135- die "MOLCAS not set, use $DRIVER_base verify\n";
openmolcas-19.11/.pc/verify_default_directories.patch/sbin/verify:136:my $MOLCAS_ID=`cd $MOLCAS ; $MOLCAS_DRIVER version -l`;
openmolcas-19.11/.pc/verify_default_directories.patch/sbin/verify-137-chomp ($MOLCAS_ID);
##############################################
openmolcas-19.11/.pc/verify_default_directories.patch/sbin/verify-163-if (-e File::Spec->catdir ($MOLCAS, 'sbin', 'find_sources')) {
openmolcas-19.11/.pc/verify_default_directories.patch/sbin/verify:164: my $OPENMOLCAS = `. \$MOLCAS/sbin/find_sources ; echo \$OPENMOLCAS_SOURCE`;
openmolcas-19.11/.pc/verify_default_directories.patch/sbin/verify-165- chomp ($OPENMOLCAS);
##############################################
openmolcas-19.11/.pc/verify_default_directories.patch/sbin/verify-332- my $file = File::Spec->catfile($location{$group}, $number . '.input');
openmolcas-19.11/.pc/verify_default_directories.patch/sbin/verify:333: if( $opt{generate} && -f $file) { system ("cp $file $file.bak");}
openmolcas-19.11/.pc/verify_default_directories.patch/sbin/verify-334- push @filelist, $file if (-f $file);
##############################################
openmolcas-19.11/.pc/verify_default_directories.patch/sbin/verify-472-# actually be used to run the tests
openmolcas-19.11/.pc/verify_default_directories.patch/sbin/verify:473:$MOLCAS_ID=`$MOLCAS_DRIVER version -l`;
openmolcas-19.11/.pc/verify_default_directories.patch/sbin/verify-474-chomp ($MOLCAS_ID);
##############################################
openmolcas-19.11/.pc/verify_default_directories.patch/sbin/verify-557- msg("running code coverage startup...");
openmolcas-19.11/.pc/verify_default_directories.patch/sbin/verify:558: system("$MOLCAS_DRIVER codecov -q --start");
openmolcas-19.11/.pc/verify_default_directories.patch/sbin/verify-559- msg_nl("done");
##############################################
openmolcas-19.11/.pc/verify_default_directories.patch/sbin/verify-587- }
openmolcas-19.11/.pc/verify_default_directories.patch/sbin/verify:588: system("$MOLCAS_DRIVER codecov -q --prep") if $opt{cover};
openmolcas-19.11/.pc/verify_default_directories.patch/sbin/verify-589- # start repeated cycles (e.g. when tests fail randomly)
##############################################
openmolcas-19.11/.pc/verify_default_directories.patch/sbin/verify-626- if ($opt{debug}) {
openmolcas-19.11/.pc/verify_default_directories.patch/sbin/verify:627: exec("$MOLCAS_DRIVER $cli_opts $input");
openmolcas-19.11/.pc/verify_default_directories.patch/sbin/verify-628- } else {
openmolcas-19.11/.pc/verify_default_directories.patch/sbin/verify:629: exec("$MOLCAS_DRIVER $cli_opts $input -o $out -e $err");
openmolcas-19.11/.pc/verify_default_directories.patch/sbin/verify-630- }
##############################################
openmolcas-19.11/.pc/verify_default_directories.patch/sbin/verify-684- if ($opt{generate}) {
openmolcas-19.11/.pc/verify_default_directories.patch/sbin/verify:685: my $rc=system("$MOLCAS_DRIVER", "updatetest.plx", $file, File::Spec->catfile ($workdir, 'checkfile'));
openmolcas-19.11/.pc/verify_default_directories.patch/sbin/verify-686- print "rc=",$rc,"\n" if ($rc!=0);
##############################################
openmolcas-19.11/.pc/verify_default_directories.patch/sbin/verify-718- }
openmolcas-19.11/.pc/verify_default_directories.patch/sbin/verify:719: system("$MOLCAS_DRIVER codecov -q --measure --name $project");
openmolcas-19.11/.pc/verify_default_directories.patch/sbin/verify-720- msg_overwrite ('', $prompt) if ($interactive);
##############################################
openmolcas-19.11/.pc/verify_default_directories.patch/sbin/verify-726-
openmolcas-19.11/.pc/verify_default_directories.patch/sbin/verify:727:system("$MOLCAS_DRIVER codecov --html") if ($opt{cover});
openmolcas-19.11/.pc/verify_default_directories.patch/sbin/verify-728-
##############################################
openmolcas-19.11/.pc/verify_default_directories.patch/sbin/verify-1091- my $file = shift;
openmolcas-19.11/.pc/verify_default_directories.patch/sbin/verify:1092: system ("$MOLCAS_DRIVER chkunprint.plx < $file");
openmolcas-19.11/.pc/verify_default_directories.patch/sbin/verify-1093- my $rc = $?;
##############################################
openmolcas-19.11/.pc/install_locations.patch/CMakeLists.txt-2659- # if (EXISTS ${PROJECT_SOURCE_DIR}/${${util}_src}/custom.cmake)
openmolcas-19.11/.pc/install_locations.patch/CMakeLists.txt:2660: # include(${PROJECT_SOURCE_DIR}/${${util}_src}/custom.cmake)
openmolcas-19.11/.pc/install_locations.patch/CMakeLists.txt-2661- # endif ()
##############################################
openmolcas-19.11/.pc/openblas_hardcode_includedir.patch/CMakeLists.txt-2659- # if (EXISTS ${PROJECT_SOURCE_DIR}/${${util}_src}/custom.cmake)
openmolcas-19.11/.pc/openblas_hardcode_includedir.patch/CMakeLists.txt:2660: # include(${PROJECT_SOURCE_DIR}/${${util}_src}/custom.cmake)
openmolcas-19.11/.pc/openblas_hardcode_includedir.patch/CMakeLists.txt-2661- # endif ()
##############################################
openmolcas-19.11/.pc/fix_doc_build.patch/CMakeLists.txt-2659- # if (EXISTS ${PROJECT_SOURCE_DIR}/${${util}_src}/custom.cmake)
openmolcas-19.11/.pc/fix_doc_build.patch/CMakeLists.txt:2660: # include(${PROJECT_SOURCE_DIR}/${${util}_src}/custom.cmake)
openmolcas-19.11/.pc/fix_doc_build.patch/CMakeLists.txt-2661- # endif ()
##############################################
openmolcas-19.11/.pc/linux_platform_support.patch/CMakeLists.txt-2659- # if (EXISTS ${PROJECT_SOURCE_DIR}/${${util}_src}/custom.cmake)
openmolcas-19.11/.pc/linux_platform_support.patch/CMakeLists.txt:2660: # include(${PROJECT_SOURCE_DIR}/${${util}_src}/custom.cmake)
openmolcas-19.11/.pc/linux_platform_support.patch/CMakeLists.txt-2661- # endif ()
##############################################
openmolcas-19.11/CMakeLists.txt-2649- # if (EXISTS ${PROJECT_SOURCE_DIR}/${${util}_src}/custom.cmake)
openmolcas-19.11/CMakeLists.txt:2650: # include(${PROJECT_SOURCE_DIR}/${${util}_src}/custom.cmake)
openmolcas-19.11/CMakeLists.txt-2651- # endif ()