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QuAcK/crhf_test/run_test.sh
2025-03-04 14:04:03 +01:00

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#! /bin/bash
cp ./methods.test ../input/methods
cp ./options.test ../input/options
cd ..
python3 PyDuck.py -x N2 -b sto-3g -c -1 -m 2
cp input/methods.default input/methods
cp input/options.default input/options