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grep rough audit - static analysis tool
v2.8 written by @Wireghoul
=================================[justanotherhacker.com]===
gpaw-20.10.0/doc/devel/256H2O/prepare.sh-9- if [ ${FORMAT} -eq "1" ]; then
gpaw-20.10.0/doc/devel/256H2O/prepare.sh:10: integer_formatted=`echo $1 | awk '{if ($1<10) printf("0000%.0f", $1); else if ($1<100) printf("000%.0f", $1); else if ($1<1000) printf("00%.0f", $1); else if ($1<10000) printf("0%.0f", $1); else printf("%.0f", $1)}'`
gpaw-20.10.0/doc/devel/256H2O/prepare.sh-11- else
##############################################
gpaw-20.10.0/doc/devel/256H2O/prepare.sh-24- do
gpaw-20.10.0/doc/devel/256H2O/prepare.sh:25: proc=`setFORMAT $p`
gpaw-20.10.0/doc/devel/256H2O/prepare.sh-26- dir="${PATTERN}_${proc}_"
##############################################
gpaw-20.10.0/doc/devel/Au_cluster/prepare.sh-9- if [ ${FORMAT} -eq "1" ]; then
gpaw-20.10.0/doc/devel/Au_cluster/prepare.sh:10: integer_formatted=`echo $1 | awk '{if ($1<10) printf("0000%.0f", $1); else if ($1<100) printf("000%.0f", $1); else if ($1<1000) printf("00%.0f", $1); else if ($1<10000) printf("0%.0f", $1); else printf("%.0f", $1)}'`
gpaw-20.10.0/doc/devel/Au_cluster/prepare.sh-11- else
##############################################
gpaw-20.10.0/doc/devel/Au_cluster/prepare.sh-24- do
gpaw-20.10.0/doc/devel/Au_cluster/prepare.sh:25: proc=`setFORMAT $p`
gpaw-20.10.0/doc/devel/Au_cluster/prepare.sh-26- dir="${PATTERN}_${proc}_"
##############################################
gpaw-20.10.0/doc/devel/memory_bandwidth/prepare.sh-31- fi
gpaw-20.10.0/doc/devel/memory_bandwidth/prepare.sh:32: index=`expr $index + 2`
gpaw-20.10.0/doc/devel/memory_bandwidth/prepare.sh-33-done
##############################################
gpaw-20.10.0/doc/devel/memory_bandwidth/run.sh-53- echo
gpaw-20.10.0/doc/devel/memory_bandwidth/run.sh:54: index=`expr $index + 2`
gpaw-20.10.0/doc/devel/memory_bandwidth/run.sh-55-done
##############################################
gpaw-20.10.0/doc/devel/memory_bandwidth/run_numactl.sh-58- echo
gpaw-20.10.0/doc/devel/memory_bandwidth/run_numactl.sh:59: index=`expr $index + 2`
gpaw-20.10.0/doc/devel/memory_bandwidth/run_numactl.sh-60-done
##############################################
gpaw-20.10.0/doc/devel/memory_bandwidth/taskit.BINDING.one.node-38-fi
gpaw-20.10.0/doc/devel/memory_bandwidth/taskit.BINDING.one.node:39:CPU=`echo "($OFFSET + $MPI_RANK)"|bc`
gpaw-20.10.0/doc/devel/memory_bandwidth/taskit.BINDING.one.node-40-case $CPU in
##############################################
gpaw-20.10.0/doc/devel/memory_bandwidth/taskit.BINDING.one.node-42-CPU=0
gpaw-20.10.0/doc/devel/memory_bandwidth/taskit.BINDING.one.node:43:MEM=`echo "$CPU / $CORES_PER_SOCKET" |bc`;;
gpaw-20.10.0/doc/devel/memory_bandwidth/taskit.BINDING.one.node-44-1)
gpaw-20.10.0/doc/devel/memory_bandwidth/taskit.BINDING.one.node-45-CPU=1
gpaw-20.10.0/doc/devel/memory_bandwidth/taskit.BINDING.one.node:46:MEM=`echo "$CPU / $CORES_PER_SOCKET" |bc`;;
gpaw-20.10.0/doc/devel/memory_bandwidth/taskit.BINDING.one.node-47-2)
gpaw-20.10.0/doc/devel/memory_bandwidth/taskit.BINDING.one.node-48-CPU=2
gpaw-20.10.0/doc/devel/memory_bandwidth/taskit.BINDING.one.node:49:MEM=`echo "$CPU / $CORES_PER_SOCKET" |bc`;;
gpaw-20.10.0/doc/devel/memory_bandwidth/taskit.BINDING.one.node-50-3)
gpaw-20.10.0/doc/devel/memory_bandwidth/taskit.BINDING.one.node-51-CPU=3
gpaw-20.10.0/doc/devel/memory_bandwidth/taskit.BINDING.one.node:52:MEM=`echo "$CPU / $CORES_PER_SOCKET" |bc`;;
gpaw-20.10.0/doc/devel/memory_bandwidth/taskit.BINDING.one.node-53-4)
gpaw-20.10.0/doc/devel/memory_bandwidth/taskit.BINDING.one.node-54-CPU=4
gpaw-20.10.0/doc/devel/memory_bandwidth/taskit.BINDING.one.node:55:MEM=`echo "$CPU / $CORES_PER_SOCKET" |bc`;;
gpaw-20.10.0/doc/devel/memory_bandwidth/taskit.BINDING.one.node-56-5)
gpaw-20.10.0/doc/devel/memory_bandwidth/taskit.BINDING.one.node-57-CPU=5
gpaw-20.10.0/doc/devel/memory_bandwidth/taskit.BINDING.one.node:58:MEM=`echo "$CPU / $CORES_PER_SOCKET" |bc`;;
gpaw-20.10.0/doc/devel/memory_bandwidth/taskit.BINDING.one.node-59-6)
gpaw-20.10.0/doc/devel/memory_bandwidth/taskit.BINDING.one.node-60-CPU=6
gpaw-20.10.0/doc/devel/memory_bandwidth/taskit.BINDING.one.node:61:MEM=`echo "$CPU / $CORES_PER_SOCKET" |bc`;;
gpaw-20.10.0/doc/devel/memory_bandwidth/taskit.BINDING.one.node-62-7)
gpaw-20.10.0/doc/devel/memory_bandwidth/taskit.BINDING.one.node-63-CPU=7
gpaw-20.10.0/doc/devel/memory_bandwidth/taskit.BINDING.one.node:64:MEM=`echo "$CPU / $CORES_PER_SOCKET" |bc`;;
gpaw-20.10.0/doc/devel/memory_bandwidth/taskit.BINDING.one.node-65-esac
##############################################
gpaw-20.10.0/doc/documentation/paw_note/paw_note.tex-782-%
gpaw-20.10.0/doc/documentation/paw_note/paw_note.tex:783:where the overlap operator $\h{S} = \T^\dagger \T$ and $\wh{\ws{H}} =
gpaw-20.10.0/doc/documentation/paw_note/paw_note.tex-784-\T^\dagger \Ham \T$ is the transformed Hamiltonian.
##############################################
gpaw-20.10.0/doc/install.rst-101-the command line tool :command:`gpaw` in the ``~/.local/bin`` folder, so
gpaw-20.10.0/doc/install.rst:102:make sure you have that in your ``$PATH`` environment variable.
gpaw-20.10.0/doc/install.rst-103-
##############################################
gpaw-20.10.0/doc/install.rst-194-
gpaw-20.10.0/doc/install.rst:195:1) the file that ``$GPAW_CONFIG`` points at
gpaw-20.10.0/doc/install.rst-196-2) ``<git-root>/siteconfig.py``
##############################################
gpaw-20.10.0/doc/platforms/AIX/seaborg.rst-29-
gpaw-20.10.0/doc/platforms/AIX/seaborg.rst:30:and put the :file:`$HOME/lib/python/Numeric` directory in your
gpaw-20.10.0/doc/platforms/AIX/seaborg.rst-31-:envvar:`PYTHONPATH`.
##############################################
gpaw-20.10.0/doc/platforms/BGQ/mira.rst-48-
gpaw-20.10.0/doc/platforms/BGQ/mira.rst:49:where ``${python}`` is the explicit path to the Scalable Python
gpaw-20.10.0/doc/platforms/BGQ/mira.rst-50-interpreter.
##############################################
gpaw-20.10.0/doc/platforms/Cray/jaguar.rst-55-
gpaw-20.10.0/doc/platforms/Cray/jaguar.rst:56:The recommended place for user's applications is under ``$HOME``::
gpaw-20.10.0/doc/platforms/Cray/jaguar.rst-57-
##############################################
gpaw-20.10.0/doc/platforms/Linux/bwuni.rst-9-
gpaw-20.10.0/doc/platforms/Linux/bwuni.rst:10:We assume that the installation will be located in ``$HOME/source``.
gpaw-20.10.0/doc/platforms/Linux/bwuni.rst-11-
##############################################
gpaw-20.10.0/doc/platforms/Linux/bwuni.rst-51-the directory where you want to install
gpaw-20.10.0/doc/platforms/Linux/bwuni.rst:52:(e.g. ``MYLIBXCDIR=$HOME/source/libxc``)::
gpaw-20.10.0/doc/platforms/Linux/bwuni.rst-53-
##############################################
gpaw-20.10.0/doc/platforms/Linux/bwuni.rst-62-
gpaw-20.10.0/doc/platforms/Linux/bwuni.rst:63:This will have installed the libs ``$MYLIBXCDIR/libxc-2.0.2/install/lib``
gpaw-20.10.0/doc/platforms/Linux/bwuni.rst-64-and the C header
gpaw-20.10.0/doc/platforms/Linux/bwuni.rst:65:files to ``$MYLIBXCDIR/libxc-2.0.2/install/include``.
gpaw-20.10.0/doc/platforms/Linux/bwuni.rst-66-We create a module for libxc::
##############################################
gpaw-20.10.0/doc/platforms/Linux/bwuni.rst-144-
gpaw-20.10.0/doc/platforms/Linux/bwuni.rst:145:which installs GPAW to ``$GPAW_SOURCE/trunk/install``.
gpaw-20.10.0/doc/platforms/Linux/bwuni.rst-146-We create a module that does the necessary things::
##############################################
gpaw-20.10.0/doc/platforms/Linux/davinci.rst-14-
gpaw-20.10.0/doc/platforms/Linux/davinci.rst:15:and build GPAW (``PYTHONPATH=${HOME}/dulak/numpy-1.1.0-1/usr/local/lib/python2.5/site-packages python setup.py build_ext``) with this
gpaw-20.10.0/doc/platforms/Linux/davinci.rst-16-``customize.py`` file::
##############################################
gpaw-20.10.0/doc/platforms/Linux/justus.rst-9-
gpaw-20.10.0/doc/platforms/Linux/justus.rst:10:We assume that the installation will be located in ``$SOURCEDIR``, which might be set to::
gpaw-20.10.0/doc/platforms/Linux/justus.rst-11-
##############################################
gpaw-20.10.0/doc/platforms/Linux/justus.rst-57-the directory where you want to install
gpaw-20.10.0/doc/platforms/Linux/justus.rst:58:(e.g. ``MYLIBXCDIR=$SOURCEDIR/libxc``)::
gpaw-20.10.0/doc/platforms/Linux/justus.rst-59-
##############################################
gpaw-20.10.0/doc/platforms/Linux/justus.rst-69-
gpaw-20.10.0/doc/platforms/Linux/justus.rst:70:This will have installed the libs ``$MYLIBXCDIR/libxc-5.0.0/install/lib``
gpaw-20.10.0/doc/platforms/Linux/justus.rst-71-and the C header
gpaw-20.10.0/doc/platforms/Linux/justus.rst:72:files to ``$MYLIBXCDIR/libxc-5.0.0/install/include``.
gpaw-20.10.0/doc/platforms/Linux/justus.rst-73-We create a module for libxc::
##############################################
gpaw-20.10.0/doc/platforms/Linux/justus.rst-194-
gpaw-20.10.0/doc/platforms/Linux/justus.rst:195:which builds GPAW to ``$GPAW_SOURCE/trunk/build``.
gpaw-20.10.0/doc/platforms/Linux/justus.rst-196-We create a module that creates the necessary definitions::
##############################################
gpaw-20.10.0/doc/platforms/Linux/msub_sun_chpc.sh-21-cat $PBS_NODEFILE
gpaw-20.10.0/doc/platforms/Linux/msub_sun_chpc.sh:22:NP=`cat $PBS_NODEFILE | wc -l`
gpaw-20.10.0/doc/platforms/Linux/msub_sun_chpc.sh-23-mpirun -x PYTHONPATH -x GPAW_SETUP_PATH -x PATH -np $NP -machinefile $PBS_NODEFILE gpaw-python `which gpaw-test`
##############################################
gpaw-20.10.0/doc/platforms/Linux/nemo.rst-9-
gpaw-20.10.0/doc/platforms/Linux/nemo.rst:10:We assume that the installation will be located in ``$HOME/source``.
gpaw-20.10.0/doc/platforms/Linux/nemo.rst-11-
##############################################
gpaw-20.10.0/doc/platforms/Linux/nemo.rst-53-the directory where you want to install
gpaw-20.10.0/doc/platforms/Linux/nemo.rst:54:(e.g. ``MYLIBXCDIR=$HOME/source/libxc``)::
gpaw-20.10.0/doc/platforms/Linux/nemo.rst-55-
##############################################
gpaw-20.10.0/doc/platforms/Linux/nemo.rst-65-
gpaw-20.10.0/doc/platforms/Linux/nemo.rst:66:This will have installed the libs ``$MYLIBXCDIR/libxc-4.3.4/install/lib``
gpaw-20.10.0/doc/platforms/Linux/nemo.rst-67-and the C header
gpaw-20.10.0/doc/platforms/Linux/nemo.rst:68:files to ``$MYLIBXCDIR/libxc-4.3.4/install/include``.
gpaw-20.10.0/doc/platforms/Linux/nemo.rst-69-We create a module for libxc::
##############################################
gpaw-20.10.0/doc/platforms/Linux/nemo.rst-185-
gpaw-20.10.0/doc/platforms/Linux/nemo.rst:186:which builds GPAW to ``$GPAW_SOURCE/trunk/build``.
gpaw-20.10.0/doc/platforms/Linux/nemo.rst-187-We create a module that creates the necessary definitions::
##############################################
gpaw-20.10.0/doc/platforms/Linux/sepeli.rst-35- The compute nodes have different filesystem than the front end
gpaw-20.10.0/doc/platforms/Linux/sepeli.rst:36: node. Especially, ``$HOME`` and ``$METAWRK`` are
gpaw-20.10.0/doc/platforms/Linux/sepeli.rst-37- mounted only on the frontend, so one should place gpaw on
gpaw-20.10.0/doc/platforms/Linux/sepeli.rst:38: ``$WRKDIR``
gpaw-20.10.0/doc/platforms/Linux/sepeli.rst-39-
##############################################
gpaw-20.10.0/doc/platforms/Linux/supernova.rst-105- echo Running on host `hostname` in directory `pwd`
gpaw-20.10.0/doc/platforms/Linux/supernova.rst:106: NPROCS=`wc -l < $PBS_NODEFILE`
gpaw-20.10.0/doc/platforms/Linux/supernova.rst-107- echo This jobs runs on the following $NPROCS processors:
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gpaw-20.10.0/doc/platforms/Linux/uranus.rst-126- echo Running on host `hostname` in directory `pwd`
gpaw-20.10.0/doc/platforms/Linux/uranus.rst:127: NPROCS=`wc -l < $PBS_NODEFILE`
gpaw-20.10.0/doc/platforms/Linux/uranus.rst-128- echo This jobs runs on the following $NPROCS processors:
##############################################
gpaw-20.10.0/doc/platforms/Linux/vsc.univie.rst-9-
gpaw-20.10.0/doc/platforms/Linux/vsc.univie.rst:10:Instructions assume **bash**, installation under ``${HOME}/opt``.
gpaw-20.10.0/doc/platforms/Linux/vsc.univie.rst-11-
##############################################
gpaw-20.10.0/doc/releasenotes.rst-174-
gpaw-20.10.0/doc/releasenotes.rst:175: 1) the file that ``$GPAW_CONFIG`` points at
gpaw-20.10.0/doc/releasenotes.rst-176- 2) ``<git-root>/siteconfig.py``
##############################################
gpaw-20.10.0/doc/releasenotes.rst-856- also dzp basis functions.
gpaw-20.10.0/doc/releasenotes.rst:857:* New ``$HOME/.gpaw/rc.py`` configuration file.
gpaw-20.10.0/doc/releasenotes.rst-858-* License is now GPLv3+.
##############################################
gpaw-20.10.0/doc/setups/setups.rst-69- of the <version> of PAW datasets from the :ref:`setups` page
gpaw-20.10.0/doc/setups/setups.rst:70: and unpack it somewhere, preferably in ``$HOME``
gpaw-20.10.0/doc/setups/setups.rst-71- (``cd; tar -xf gpaw-setups-<version>.tar.gz``) - it could
##############################################
gpaw-20.10.0/doc/summerschools/summerschool18/accesslinmac.rst-44-forwarding is enabled. Then it starts a jupyter notebook by running
gpaw-20.10.0/doc/summerschools/summerschool18/accesslinmac.rst:45:the command ``jupyter notebook --no-browser --port=40000 --ip=$HOSTNAME``
gpaw-20.10.0/doc/summerschools/summerschool18/accesslinmac.rst-46-(you can also use this command yourself if you prefer).
##############################################
gpaw-20.10.0/doc/summerschools/summerschool18/accesswin.rst-41-forwarding is enabled. Then it starts a jupyter notebook by running
gpaw-20.10.0/doc/summerschools/summerschool18/accesswin.rst:42:the command ``jupyter notebook --no-browser --port=40000 --ip=$HOSTNAME``
gpaw-20.10.0/doc/summerschools/summerschool18/accesswin.rst-43-(you can also use this command yourself if you prefer).
##############################################
gpaw-20.10.0/doc/summerschools/summerschool18/batteries/batteries3.py-63-"""
gpaw-20.10.0/doc/summerschools/summerschool18/batteries/batteries3.py:64:You will now make a final structure, where the Li atom has been moved to a neighbouring equivalent site. The [`get_positions`](https://wiki.fysik.dtu.dk/ase/ase/atoms.html?highlight=get_positions#ase.Atoms.get_positions), [`set_positions`](https://wiki.fysik.dtu.dk/ase/ase/atoms.html?highlight=get_positions#ase.Atoms.set_positions) and [`get_cell`](https://wiki.fysik.dtu.dk/ase/ase/atoms.html?highlight=get_positions#ase.Atoms.get_cell) functions are highly useful for such a task. HINT: Displace the Li atom $\frac{1}{n} (\vec{a}+\vec{b})$
gpaw-20.10.0/doc/summerschools/summerschool18/batteries/batteries3.py-65-"""
##############################################
gpaw-20.10.0/doc/summerschools/summerschool18/batteries/batteries3.py-251-"""
gpaw-20.10.0/doc/summerschools/summerschool18/batteries/batteries3.py:252:In the GUI use `Tools` $\rightarrow$ `NEB`.
gpaw-20.10.0/doc/summerschools/summerschool18/batteries/batteries3.py-253-
##############################################
gpaw-20.10.0/doc/summerschools/summerschool18/machinelearning/machinelearning.py-449-"""
gpaw-20.10.0/doc/summerschools/summerschool18/machinelearning/machinelearning.py:450:All the models in scikit-learn have a `fit` method, which expects an $X$ matrix and a $y$ vector as inputs, and then trains the model. They also have a `predict` method, which takes an $X$ matrix as input and returns the $y$ values predicted by the model. We use this to plot the true vs the predicted band gap.
gpaw-20.10.0/doc/summerschools/summerschool18/machinelearning/machinelearning.py-451-"""
##############################################
gpaw-20.10.0/doc/tutorials/ofdft/ofdft.rst-255-The binding energy,
gpaw-20.10.0/doc/tutorials/ofdft/ofdft.rst:256:` 2 E(\text{N}) - E(\text{N$_2$})`
gpaw-20.10.0/doc/tutorials/ofdft/ofdft.rst-257-is 13.266 eV. For reference, the experimental value is about 9.79 eV.
##############################################
gpaw-20.10.0/gpaw/cli/sbatch.py-40- script += ('OMP_NUM_THREADS=1 '
gpaw-20.10.0/gpaw/cli/sbatch.py:41: 'mpiexec `echo $GPAW_MPI_OPTIONS` gpaw python {}\n'
gpaw-20.10.0/gpaw/cli/sbatch.py-42- .format(' '.join(args.arguments[i:])))
##############################################
gpaw-20.10.0/gpaw/test/conftest.py-37- want to reuse gpw-files from an earlier pytest session then set the
gpaw-20.10.0/gpaw/test/conftest.py:38: ``$GPW_TEST_FILES`` environment variable and the files will be written
gpaw-20.10.0/gpaw/test/conftest.py-39- to that folder.