Python check_hf_cs_hf Examples

Example #1

File: test_scf.py Project: susilehtola/horton

def test_hf_cs_hf_level_shift():
    check_hf_cs_hf(PlainSCFSolver(threshold=1e-10, level_shift=0.01))

Example #2

File: test_scf_oda.py Project: QuantumElephant/horton

def test_hf_cs_hf():
    check_hf_cs_hf(ODASCFSolver(threshold=1e-7))

Example #3

File: test_scf.py Project: susilehtola/horton

def test_hf_cs_hf():
    check_hf_cs_hf(PlainSCFSolver(threshold=1e-10))

Example #4

File: test_scf.py Project: FarnazH/hortonqa

def test_hf_cs_hf():
    check_hf_cs_hf(PlainSCFSolver(threshold=1e-10))

Example #5

File: test_scf_oda.py Project: susilehtola/horton

def test_hf_cs_hf():
    check_hf_cs_hf(ODASCFSolver(threshold=1e-7))

Example #6

File: test_scf_cdiis.py Project: crisely09/horton

def test_hf_cs_hf():
    check_hf_cs_hf(CDIISSCFSolver(threshold=1e-7))

Example #7

File: test_scf.py Project: QuantumElephant/horton

def test_hf_cs_hf_level_shift():
    check_hf_cs_hf(PlainSCFSolver(threshold=1e-10, level_shift=0.01))

Example #8

def test_hf_cs_hf():
    check_hf_cs_hf(EDIIS2SCFSolver(threshold=1e-7))