ec_external.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	ec_external
	Routines for an external energy correction on top of a Kohn-Sham calculation.

Functions/Subroutines
subroutine, public	ec_external::ec_ext_energy (qs_env, ec_env, calculate_forces)
	External energy method.
subroutine, public	ec_external::matrix_r_forces (qs_env, cpmos, mo_occ, matrix_r, unit_nr, debug_forces, debug_stress)
	...