示例#1
0
 def orthogopt(self, v, coords):
     """make v orthogonal to the zero eigenvectors at position coords"""
     zev = zeroev.gramm_schmidt(self.zeroEV(coords))
     zeroev.orthogonalize(v, zev)
     return v
示例#2
0
文件： aatopology.py 项目： jdf43/pele 
 def orthogopt(self, v, coords):
     zev = zeroev.gramm_schmidt(self.zeroEV(coords))
     zeroev.orthogonalize(v, zev)
     return v
示例#3
0
文件： aatopology.py 项目： jdf43/pele 
 def ortogopt_aa(self, v, coords):
     v = v.copy()
     zev = zeroev.gramm_schmidt(self.zeroEV(coords))
     zeroev.orthogonalize(v, zev)
     return v
示例#4
0
 def orthogopt(self, v, coords):
     """make v orthogonal to the zero eigenvectors at position coords"""
     zev = zeroev.gramm_schmidt(self.zeroEV(coords))
     zeroev.orthogonalize(v, zev)
     return v