mm_collocate_potential.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	mm_collocate_potential
	Calculate the MM potential by collocating the primitive Gaussian functions (pgf)

Functions/Subroutines
subroutine, public	mm_collocate_potential::collocate_gf_rspace_nopbc (zetp, rp, scale, w, pwgrid, cube_info, eps_mm_rspace, xdat, ydat, zdat, bo2, n_rep_real, mm_cell)
	Main driver to collocate gaussian functions on grid without using periodic boundary conditions (NoPBC)
subroutine, public	mm_collocate_potential::integrate_gf_rspace_nopbc (zetp, rp, scale, w, pwgrid, cube_info, eps_mm_rspace, xdat, ydat, zdat, bo, force, n_rep_real, mm_cell)
	Main driver to integrate gaussian functions on a grid function without using periodic boundary conditions (NoPBC) Computes Forces.