Exemple #1
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def test_methyl_os_tpss():
    check_methyl_os_tpss(ODASCFSolver(threshold=1e-4))
Exemple #2
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def test_methyl_os_tpss():
    check_methyl_os_tpss(EDIIS2SCFSolver(threshold=1e-5))
Exemple #3
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def test_methyl_os_tpss():
    check_methyl_os_tpss(ODASCFSolver(threshold=1e-4))
Exemple #4
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def test_methyl_os_tpss():
    check_methyl_os_tpss(CDIISSCFSolver(threshold=1e-5))