/dports/science/py-pyscf/pyscf-2.0.1/pyscf/pbc/ci/ |
H A D | kcis_rhf.py | 89 matvec, diag = cis.gen_matvec(kshift, eris=eris) 411 def gen_matvec(self, kshift, eris=None, **kwargs): member in KCIS
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/dports/science/py-pyscf/pyscf-2.0.1/pyscf/cc/ |
H A D | eom_rccsd.py | 43 matvec, diag = eom.gen_matvec(imds, left=left, **kwargs) 549 def gen_matvec(self, imds=None, left=False, **kwargs): member in EOMIP 908 def gen_matvec(self, imds=None, left=False, **kwargs): member in EOMEA 1652 def gen_matvec(self, imds=None, diag=None, **kwargs): member in EOMEESinglet 1678 def gen_matvec(self, imds=None, diag=None, **kwargs): member in EOMEETriplet 1704 def gen_matvec(self, imds=None, diag=None, **kwargs): member in EOMEESpinFlip
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H A D | eom_gccsd.py | 593 def gen_matvec(self, imds=None, **kwargs): member in EOMEE
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H A D | eom_uccsd.py | 1850 def gen_matvec(self, imds=None, diag=None, **kwargs): member in EOMEESpinKeep 1898 def gen_matvec(self, imds=None, diag=None, **kwargs): member in EOMEESpinFlip
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/dports/science/py-pyscf/pyscf-2.0.1/pyscf/pbc/cc/ |
H A D | eom_kccsd_ghf.py | 104 matvec, diag = eom.gen_matvec(kshift, imds, left=left, **kwargs) 729 def gen_matvec(self, kshift, imds=None, left=False, **kwargs): member in EOMIP 1246 def gen_matvec(self, kshift, imds=None, left=False, **kwargs): member in EOMEA 1328 matvec, diag = eom.gen_matvec(kshift, imds, left=left, **kwargs) 1767 def gen_matvec(self, kshift, imds=None, left=False, **kwargs): member in EOMEE
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H A D | eom_kccsd_uhf.py | 505 def gen_matvec(self, kshift, imds=None, left=False, **kwargs):
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H A D | eom_kccsd_rhf.py | 1459 def gen_matvec(self, kshift, imds=None, left=False, **kwargs): member in EOMEESinglet
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/dports/science/py-pyscf/pyscf-2.0.1/pyscf/adc/ |
H A D | radc.py | 48 matvec, diag = adc.gen_matvec(imds, eris) 2572 def gen_matvec(self, imds=None, eris=None): member in RADCEA 2684 def gen_matvec(self, imds=None, eris=None): member in RADCIP
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H A D | uadc.py | 48 matvec, diag = adc.gen_matvec(imds, eris) 4618 def gen_matvec(self, imds=None, eris=None): member in UADCEA 4738 def gen_matvec(self, imds=None, eris=None): member in UADCIP
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