| /dports/science/py-pyscf/pyscf-2.0.1/pyscf/mcscf/ |
| H A D | casci.py | 32 WITH_META_LOWDIN = getattr(__config__, 'mcscf_analyze_with_meta_lowdin', True)
72 large_ci_tol=LARGE_CI_TOL, with_meta_lowdin=WITH_META_LOWDIN,
240 casdm1=None, verbose=None, with_meta_lowdin=WITH_META_LOWDIN):
396 with_meta_lowdin=WITH_META_LOWDIN):
966 casdm1=None, verbose=None, with_meta_lowdin=WITH_META_LOWDIN):
971 casdm1=None, verbose=None, with_meta_lowdin=WITH_META_LOWDIN):
985 with_meta_lowdin=WITH_META_LOWDIN):
1084 del(WITH_META_LOWDIN, LARGE_CI_TOL, PENALTY)
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| H A D | ucasci.py | 38 WITH_META_LOWDIN = getattr(__config__, 'mcscf_analyze_with_meta_lowdin', True) variable
328 large_ci_tol=LARGE_CI_TOL, with_meta_lowdin=WITH_META_LOWDIN,
449 del(WITH_META_LOWDIN, LARGE_CI_TOL)
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| /dports/science/py-pyscf/pyscf-2.0.1/pyscf/scf/ |
| H A D | rohf.py | 32 WITH_META_LOWDIN = getattr(__config__, 'scf_analyze_with_meta_lowdin', True) variable
244 def analyze(mf, verbose=logger.DEBUG, with_meta_lowdin=WITH_META_LOWDIN,
429 def analyze(self, verbose=None, with_meta_lowdin=WITH_META_LOWDIN,
483 del(WITH_META_LOWDIN)
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| H A D | uhf_symm.py | 34 WITH_META_LOWDIN = getattr(__config__, 'scf_analyze_with_meta_lowdin', True) variable
38 def analyze(mf, verbose=logger.DEBUG, with_meta_lowdin=WITH_META_LOWDIN,
496 def analyze(self, verbose=None, with_meta_lowdin=WITH_META_LOWDIN,
539 del(WITH_META_LOWDIN)
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| H A D | hf_symm.py | 40 WITH_META_LOWDIN = getattr(__config__, 'scf_analyze_with_meta_lowdin', True) variable
46 def analyze(mf, verbose=logger.DEBUG, with_meta_lowdin=WITH_META_LOWDIN,
471 def analyze(self, verbose=None, with_meta_lowdin=WITH_META_LOWDIN,
725 def analyze(self, verbose=None, with_meta_lowdin=WITH_META_LOWDIN,
897 del(WITH_META_LOWDIN)
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| H A D | uhf.py | 27 WITH_META_LOWDIN = getattr(__config__, 'scf_analyze_with_meta_lowdin', True) variable
442 def analyze(mf, verbose=logger.DEBUG, with_meta_lowdin=WITH_META_LOWDIN,
886 def analyze(self, verbose=None, with_meta_lowdin=WITH_META_LOWDIN,
1005 del(WITH_META_LOWDIN, PRE_ORTH_METHOD, BREAKSYM)
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| H A D | ghf_symm.py | 34 WITH_META_LOWDIN = getattr(__config__, 'scf_analyze_with_meta_lowdin', True) variable
38 def analyze(mf, verbose=logger.DEBUG, with_meta_lowdin=WITH_META_LOWDIN,
|
| H A D | ghf.py | 34 WITH_META_LOWDIN = getattr(__config__, 'scf_analyze_with_meta_lowdin', True) variable
285 def analyze(mf, verbose=logger.DEBUG, with_meta_lowdin=WITH_META_LOWDIN,
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| H A D | hf.py | 39 WITH_META_LOWDIN = getattr(__config__, 'scf_analyze_with_meta_lowdin', True) variable
970 def analyze(mf, verbose=logger.DEBUG, with_meta_lowdin=WITH_META_LOWDIN,
1730 def analyze(self, verbose=None, with_meta_lowdin=WITH_META_LOWDIN,
2013 del(WITH_META_LOWDIN, PRE_ORTH_METHOD)
|
| /dports/science/py-pyscf/pyscf-2.0.1/pyscf/pbc/scf/ |
| H A D | krohf.py | 35 WITH_META_LOWDIN = getattr(__config__, 'pbc_scf_analyze_with_meta_lowdin', True) variable
419 def analyze(self, verbose=None, with_meta_lowdin=WITH_META_LOWDIN,
457 del(WITH_META_LOWDIN, PRE_ORTH_METHOD)
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| H A D | khf.py | 46 WITH_META_LOWDIN = getattr(__config__, 'pbc_scf_analyze_with_meta_lowdin', True) variable
280 def analyze(mf, verbose=logger.DEBUG, with_meta_lowdin=WITH_META_LOWDIN,
659 def analyze(self, verbose=None, with_meta_lowdin=WITH_META_LOWDIN,
855 del(WITH_META_LOWDIN, PRE_ORTH_METHOD)
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| H A D | kuhf.py | 39 WITH_META_LOWDIN = getattr(__config__, 'pbc_scf_analyze_with_meta_lowdin', True) variable
482 def analyze(self, verbose=None, with_meta_lowdin=WITH_META_LOWDIN,
619 del(WITH_META_LOWDIN, PRE_ORTH_METHOD)
|