示例#1
0
 def __init__(self,
              mf,
              frozen=[],
              mo_energy=None,
              mo_coeff=None,
              mo_occ=None):
     molRCCSD.__init__(self, mf, frozen, mo_energy, mo_coeff, mo_occ)
示例#2
0
文件： ccsd.py 项目： berquist/pyscf 
 def dump_flags(self):
     molRCCSD.dump_flags(self)
     logger.info(self, '\n')
     logger.info(self, '******** PBC CC flags ********')
示例#3
0
文件： ccsd.py 项目： berquist/pyscf 
 def __init__(self, mf, frozen=[], mo_energy=None, mo_coeff=None, mo_occ=None):
     molRCCSD.__init__(self, mf, frozen, mo_energy, mo_coeff, mo_occ)
示例#4
0
 def dump_flags(self):
     molRCCSD.dump_flags(self)
     logger.info(self, '\n')
     logger.info(self, '******** PBC CC flags ********')