示例#1
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def test_lih_os_hf_level_shift():
    check_lih_os_hf(PlainSCFSolver(threshold=1e-10, level_shift=0.02))
示例#2
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def test_lih_os_hf():
    check_lih_os_hf(ODASCFSolver(threshold=1e-7))
示例#3
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def test_lih_os_hf():
    check_lih_os_hf(PlainSCFSolver(threshold=1e-10))
示例#4
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def test_lih_os_hf():
    check_lih_os_hf(PlainSCFSolver(threshold=1e-10))
示例#5
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def test_lih_os_hf():
    check_lih_os_hf(ODASCFSolver(threshold=1e-7))
示例#6
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def test_lih_os_hf():
    check_lih_os_hf(EDIIS2SCFSolver(threshold=1e-7))
示例#7
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def test_lih_os_hf_level_shift():
    check_lih_os_hf(PlainSCFSolver(threshold=1e-10, level_shift=0.02))
示例#8
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def test_lih_os_hf():
    check_lih_os_hf(EDIIS2SCFSolver(threshold=1e-7))