efield_utils.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	efield_utils
	all routins needed for a nonperiodic electric field

Functions/Subroutines
subroutine, public	efield_utils::efield_potential_lengh_gauge (qs_env)
	Replace the original implementation of the electric-electronic interaction in the length gauge. This calculation is no longer done in the grid but using matrices to match the velocity gauge implementation. Note: The energy is stored in energycore and computed later on. More...
subroutine, public	efield_utils::make_field (dft_control, field, sim_step, sim_time)
	computes the amplitude of the efield within a given envelop More...
subroutine, public	efield_utils::calculate_ecore_efield (qs_env, calculate_forces)
	Computes the force and the energy due to a efield on the cores Note: In the velocity gauge, the energy term is not added because it would lead to an unbalanced energy (center of negative charge not involved in the electric energy in this gauge). More...