dft_zmp/patch_n2v.sh

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2024-02-26 10:47:10 +01:00
#!/bin/bash
case $1 in
r | reset)
echo "Unpatching n2v"
cp -v n2v.bak/engines/psi4.py n2v/engines/psi4.py
cp -v n2v.bak/inverter.py n2v/inverter.py
cp -v n2v.bak/methods/zmp.py n2v/methods/zmp.py
cp -v n2v.bak/grid/grider.py n2v/grid/grider.py
;;
*)
echo "Patching n2v"
cp -v n2v.patched/engines/psi4.py n2v/engines/psi4.py
cp -v n2v.patched/inverter.py n2v/inverter.py
cp -v n2v.patched/methods/zmp.py n2v/methods/zmp.py
cp -v n2v.patched/grid/grider.py n2v/grid/grider.py
;;
esac