示例#1
0
 def nuclear_gradient(self, other, C):
     return self.norm*other.norm*\
            array(grad_nuc_att(self.origin,self.powers,self.exp,
                         other.origin,other.powers,other.exp,
                         C))
示例#2
0
文件： PGBF.py 项目： globulion/pyq-mod 
 def nuclear_gradient(self,other,C):
     return self.norm*other.norm*\
            array(grad_nuc_att(self.origin,self.powers,self.exp,
                         other.origin,other.powers,other.exp,
                         C))
示例#3
0
文件： PGBF.py 项目： certik/pyquante 
 def nuclear_gradient(self,other,C):
     return self._normalization*other._normalization*\
            array(grad_nuc_att(self._origin,self._powers,self._exponent,
                         other._origin,other._powers,other._exponent,
                         C))