More detailed description

module Hessian

Method groups

Hessian.mass_weight_matrix(geometry)

Hessian.mass_unweight_matrix(geometry)

Hessian.transrot_removal_projector_old(geometry)

This algorithm uses diagonalized moment of intertia, and there were problems in calculating it correctly with diofefrent diagonalizers. New method (see below) avoid this problem.

Hessian.transrot_removal_projector(geometry)

Builds projector matrix for removal of translation and rotation.

Hessian.transrot_removal_projector_nomw(geometry)

Builds projector matrix for removal of translation and rotation.