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