SalcComponent

class psi4.core.SalcComponent

Bases: pybind11_builtins.pybind11_object

Component of a Cartesian displacement SALC in the basis of atomic displacements.

Attributes Summary

atom	The index of the atom being displaced.
coef	The coefficient of the displacement
xyz	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.