ewald_methods_tb.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	ewald_methods_tb
	Calculation of Ewald contributions in DFTB.

Functions/Subroutines
subroutine, public	ewald_methods_tb::tb_spme_evaluate (ewald_env, ewald_pw, particle_set, box, gmcharge, mcharge, calculate_forces, virial, use_virial, atprop)
	...
subroutine, public	ewald_methods_tb::tb_ewald_overlap (gmcharge, mcharge, alpha, n_list, virial, use_virial, atprop)
	...
subroutine, public	ewald_methods_tb::tb_spme_zforce (ewald_env, ewald_pw, particle_set, box, gmcharge, mcharge)
	...