PTEROSOR/QuAcK
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QuAcK/GoQCaml

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new files
2020-01-17 15:31:38 +01:00
#! /bin/bash
cd int
beyond TDA for dynamic BSE
2020-05-20 16:46:07 +02:00
../utils/QCaml/run_integrals -b ../input/basis.qcaml -x ../input/molecule.xyz || ../utils/QCaml/run_integrals -b ../input/basis.qcaml -x ../input/molecule.xyz -c 1
dynamic correction
2020-04-22 00:39:52 +02:00
###../utils/QCaml/run_integrals -b ../input/basis.qcaml -x ../input/molecule.xyz -m 0.5
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