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NWChem
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eric-features
NWChem
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tests
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tce_ccsd_gradient
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Kurt Glaesmann
4205227e05
Change CCSD gradient code results to numerical gradient results, because code is untested -Karol says to
2010-11-02 18:11:29 +00:00
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h2o_ccsd.nw
Change CCSD gradient code results to numerical gradient results, because code is untested -Karol says to
2010-11-02 18:11:29 +00:00
h2o_ccsd.output
Change CCSD gradient code results to numerical gradient results, because code is untested -Karol says to
2010-11-02 18:11:29 +00:00