Python get_ovlp示例

示例#1

文件： uhf.py 项目： wmizukami/pyscf

 def get_ovlp(self, mol=None, gauge_orig=None):
     if mol is None: mol = self.mol
     if gauge_orig is None: gauge_orig = self.gauge_orig
     return rhf_nmr.get_ovlp(mol,
                             gauge_orig)  #Jia, try to understand this later

示例#2

文件： uhf.py 项目： pyscf/properties

 def get_ovlp(self, mol=None, gauge_orig=None):
     if mol is None: mol = self.mol
     if gauge_orig is None: gauge_orig = self.gauge_orig
     return rhf_nmr.get_ovlp(mol, gauge_orig)

示例#3

文件： rhf.py 项目： chrinide/pyscf

 def get_ovlp(self, mol=None, gauge_orig=None):
     if mol is None: mol = self.mol
     if gauge_orig is None: gauge_orig = self.gauge_orig
     return rhf_nmr.get_ovlp(mol, gauge_orig)