Python LightVector.l_sub Examples

Example #1

File: internal_cartesians.py Project: xwang862/psi4

 def e(j, k):
     ev = LightVector.l_sub(xyz[k - 1], xyz[j - 1])
     ev.normalize()
     return ev

Example #2

File: bond_angle.py Project: xwang862/psi4

 def e(j, k):
     ev = LightVector.l_sub(args[k - 1], args[j - 1])
     ev.normalize()
     return ev

Example #3

File: bond_angle.py Project: xwang862/psi4

 def r(j, k):
     return LightVector.l_sub(args[k - 1], args[j - 1]).magnitude()

Example #4

File: torsion.py Project: SahanGH/psi4public

 def r(j, k):
     return LightVector.l_sub(args[k-1], args[j-1]).magnitude()

Example #5

File: bond_angle.py Project: xwang862/psi4

 def value_for_xyz(cls, xyz):
     v1 = LightVector.l_sub(xyz[0], xyz[1])
     v2 = LightVector.l_sub(xyz[2], xyz[1])
     return angle_between_vectors(v1, v2)

Example #6

File: torsion.py Project: SahanGH/psi4public

 def e(j, k):
     ev = LightVector.l_sub(args[k-1], args[j-1]); ev.normalize()
     return ev

Example #7

File: torsion.py Project: SahanGH/psi4public

 def e(j, k):
     ev = LightVector.l_sub(xyz[k-1], xyz[j-1]); ev.normalize()
     return ev

Example #8

File: bond_length.py Project: guoyang0123/psi4release

 def value_for_xyz(cls, xyz):
     """
     """
     return LightVector.l_sub(xyz[1], xyz[0]).magnitude()

Example #9

File: bond_angle.py Project: SahanGH/psi4public

 def value_for_xyz(cls, xyz):
     v1 = LightVector.l_sub(xyz[0], xyz[1])
     v2 = LightVector.l_sub(xyz[2], xyz[1])
     return angle_between_vectors(v1, v2)

Example #10

File: bond_length.py Project: SahanGH/psi4public

 def value_for_xyz(cls, xyz):
     """
     """
     return LightVector.l_sub(xyz[1], xyz[0]).magnitude()