SalcComponent¶
- class psi4.core.SalcComponent¶
Bases:
pybind11_object
Component of a Cartesian displacement SALC in the basis of atomic displacements.
Attributes Summary
The index of the atom being displaced.
The coefficient of the displacement
The direction of the displacement, given by x as 0, y as 1, z as 2.
Attributes Documentation
- atom¶
The index of the atom being displaced. 0-indexed.
- coef¶
The coefficient of the displacement
- xyz¶
The direction of the displacement, given by x as 0, y as 1, z as 2.