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