qs_external_potential.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	qs_external_potential
	Routines to handle an external electrostatic field The external field can be generic and is provided by user input.

Functions/Subroutines
subroutine, public	qs_external_potential::external_e_potential (qs_env)
	Computes the external potential on the grid.
subroutine, public	qs_external_potential::external_c_potential (qs_env, calculate_forces)
	Computes the force and the energy due to the external potential on the cores.
subroutine, public	qs_external_potential::interpolate_external_potential (r, grid, func, dfunc, calc_derivatives)
	subroutine that interpolates the value of the external potential at position r based on the values on the realspace grid