manybody_nequip.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	manybody_nequip

Functions/Subroutines
subroutine, public	manybody_nequip::setup_nequip_arrays (nonbonded, potparm, glob_loc_list, glob_cell_v, glob_loc_list_a, cell)
	... More...
subroutine, public	manybody_nequip::destroy_nequip_arrays (glob_loc_list, glob_cell_v, glob_loc_list_a)
	... More...
subroutine, public	manybody_nequip::nequip_energy_store_force_virial (nonbonded, particle_set, cell, atomic_kind_set, potparm, nequip, glob_loc_list_a, r_last_update_pbc, pot_nequip, fist_nonbond_env, para_env)
	... More...
subroutine, public	manybody_nequip::nequip_add_force_virial (fist_nonbond_env, f_nonbond, pv_nonbond, use_virial)
	... More...