qs_operators_ao.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	qs_operators_ao

Functions/Subroutines
subroutine, public	qs_operators_ao::build_exp_ikr_matrix (qs_env, op_sm_set, kvec, sab_orb_external, basis_type, force_periodic, cell_external)
	Build real and imaginary AO matrices for exp(i*k*r).
subroutine, public	qs_operators_ao::build_lin_mom_matrix (qs_env, matrix, minimum_image)
	Calculation of the linear momentum matrix <mu|∂|nu> over Cartesian Gaussian functions.
subroutine, public	qs_operators_ao::build_ang_mom_matrix (qs_env, matrix, rc)
	Calculation of the angular momentum matrix over Cartesian Gaussian functions.