pair_potential.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	pair_potential

Functions/Subroutines
subroutine, public	pair_potential::init_genpot (potparm, ntype)
	Initialize genpot.
subroutine, public	pair_potential::spline_nonbond_control (spline_env, potparm, atomic_kind_set, eps_spline, max_energy, rlow_nb, emax_spline, npoints, iw, iw2, iw3, do_zbl, shift_cutoff, nonbonded_type)
	creates the splines for the potentials
subroutine, public	pair_potential::get_nonbond_storage (spline_env, potparm, atomic_kind_set, do_zbl, shift_cutoff)
	Prescreening of the effective bonds evaluations. linear scaling algorithm.