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changing paths to use SOURCE_DIR env variable
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lkyamamo committed Jun 4, 2024
1 parent 757d15c commit c7410eb
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Showing 3 changed files with 8 additions and 8 deletions.
6 changes: 3 additions & 3 deletions Examples/01_Optimization/01_Water/run.sh
Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
cp ../../../qxmd .
cp /content/QXMD/util/qxREAD.py /content/QXMD/Examples/01_Optimization/01_Water/analysis/DOS/.
cp /content/QXMD/util/qxREAD.py /content/QXMD/Examples/01_Optimization/01_Water/analysis/eng/.
cp /content/QXMD/util/qxREAD.py /content/QXMD/Examples/01_Optimization/01_Water/analysis/pdb/.
cp ${SOURCE_DIR}/util/qxREAD.py ${SOURCE_DIR}/Examples/01_Optimization/01_Water/analysis/DOS/.
cp ${SOURCE_DIR}/util/qxREAD.py ${SOURCE_DIR}/Examples/01_Optimization/01_Water/analysis/eng/.
cp ${SOURCE_DIR}/util/qxREAD.py ${SOURCE_DIR}/Examples/01_Optimization/01_Water/analysis/pdb/.
export PYTHONPATH=../../../util/
export LD_LIBRARY_PATH=../../../fftw-3.3.8/build/lib:${LD_LIBRARY_PATH}
mkdir data
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4 changes: 2 additions & 2 deletions Examples/02_Adaibatic_MD/01_Water_NVE/run.sh
Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
cp ../../../qxmd .
cp /content/QXMD/util/qxREAD.py /content/QXMD/Examples/02_Adaibatic_MD/01_Water_NVE/analysis/bond-angle/.
cp /content/QXMD/util/qxREAD.py /content/QXMD/Examples/02_Adaibatic_MD/01_Water_NVE/analysis/eng/.
cp ${SOURCE_DIR}/util/qxREAD.py ${SOURCE_DIR}/Examples/02_Adaibatic_MD/01_Water_NVE/analysis/bond-angle/.
cp ${SOURCE_DIR}/util/qxREAD.py ${SOURCE_DIR}/Examples/02_Adaibatic_MD/01_Water_NVE/analysis/eng/.
mkdir data
export PYTHONPATH=../../../util/
export LD_LIBRARY_PATH=../../../fftw-3.3.8/build/lib:${LD_LIBRARY_PATH}
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6 changes: 3 additions & 3 deletions Examples/03_NAQMD/01_Water_NVE/run.sh
Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
cp ../../../qxmd .
cp /content/QXMD/util/qxREAD.py /content/QXMD/Examples/03_NAQMD/01_Water_NVE/analysis/bond-angle/.
cp /content/QXMD/util/qxREAD.py /content/QXMD/Examples/03_NAQMD/01_Water_NVE/analysis/eig/.
cp /content/QXMD/util/qxREAD.py /content/QXMD/Examples/03_NAQMD/01_Water_NVE/analysis/rate/.
cp ${SOURCE_DIR}/util/qxREAD.py ${SOURCE_DIR}/Examples/03_NAQMD/01_Water_NVE/analysis/bond-angle/.
cp ${SOURCE_DIR}/util/qxREAD.py ${SOURCE_DIR}/Examples/03_NAQMD/01_Water_NVE/analysis/eig/.
cp ${SOURCE_DIR}/util/qxREAD.py ${SOURCE_DIR}/Examples/03_NAQMD/01_Water_NVE/analysis/rate/.
mkdir data
export PYTHONPATH=../../../util/
export LD_LIBRARY_PATH=../../../fftw-3.3.8/build/lib:${LD_LIBRARY_PATH}
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