Python get_ovlp Examples

Example #1

File: uhf.py Project: 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

Example #2

File: uhf.py Project: 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)

Example #3

File: rhf.py Project: 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)