fist_nonbond_force.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	fist_nonbond_force

Functions/Subroutines
subroutine, public	fist_nonbond_force::force_nonbond (fist_nonbond_env, ewald_env, particle_set, cell, pot_nonbond, f_nonbond, pv_nonbond, fshell_nonbond, fcore_nonbond, atprop_env, atomic_kind_set, use_virial)
	Calculates the force and the potential of the minimum image, and the pressure tensor.
subroutine, public	fist_nonbond_force::bonded_correct_gaussian (fist_nonbond_env, atomic_kind_set, local_particles, particle_set, ewald_env, v_bonded_corr, pv_bc, shell_particle_set, core_particle_set, atprop_env, cell, use_virial)
	corrects electrostatics for bonded terms