Exemplo n.º 1
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 def _eig(self, mat, b0, b1, orbsym=None):
     # self.mo_coeff.orbsym is initialized in kernel function
     if orbsym is None:
         orbsym = self.mo_coeff.orbsym[b0:b1]
     return casci_symm.eig(mat, orbsym)
Exemplo n.º 2
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 def _eig(self, mat, b0, b1):
     # self.mo_coeff.orbsym is initialized in kernel function
     return casci_symm.eig(mat, numpy.array(self.mo_coeff.orbsym[b0:b1]))
Exemplo n.º 3
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 def _eig(self, mat, b0, b1):
     return casci_symm.eig(mat, numpy.array(self.orbsym[b0:b1]))
Exemplo n.º 4
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 def _eig(self, mat, b0, b1):
     return casci_symm.eig(mat, numpy.array(self.orbsym[b0:b1]))
Exemplo n.º 5
0
 def _eig(self, mat, b0, b1, orbsym=None):
     # self.mo_coeff.orbsym is initialized in kernel function
     if orbsym is None:
         orbsym = self.mo_coeff.orbsym[b0:b1]
     return casci_symm.eig(mat, orbsym)