qs_cneo_ggrid.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	qs_cneo_ggrid
	CNEO soft nuclear densities on the global grid (see J. Chem. Theory Comput. 2025, 21, 16, 7865–7877)

Functions/Subroutines
subroutine, public	qs_cneo_ggrid::put_rhoz_cneo_s_on_grid (qs_env, rho0, rhoz_cneo_set, tot_rs_int)
	...
subroutine, public	qs_cneo_ggrid::rhoz_cneo_s_grid_create (pw_env, rho0_mpole)
	...
subroutine, public	qs_cneo_ggrid::integrate_vhgg_rspace (qs_env, v_rspace, para_env, calculate_forces, rhoz_cneo_set, kforce)
	...