fist_nonbond_env_types.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Data Types
type	fist_nonbond_env_types::pos_type
type	fist_nonbond_env_types::eam_type
type	fist_nonbond_env_types::quip_data_type
type	fist_nonbond_env_types::nequip_data_type
type	fist_nonbond_env_types::allegro_data_type
type	fist_nonbond_env_types::deepmd_data_type
type	fist_nonbond_env_types::fist_nonbond_env_type

Modules
module	fist_nonbond_env_types

Functions/Subroutines
subroutine, public	fist_nonbond_env_types::fist_nonbond_env_get (fist_nonbond_env, potparm14, potparm, nonbonded, rlist_cut, rlist_lowsq, aup, lup, ei_scale14, vdw_scale14, shift_cutoff, do_electrostatics, r_last_update, r_last_update_pbc, rshell_last_update_pbc, rcore_last_update_pbc, cell_last_update, num_update, last_update, counter, natom_types, long_range_correction, ij_kind_full_fac, eam_data, quip_data, nequip_data, allegro_data, deepmd_data, charges)
	sets a fist_nonbond_env
subroutine, public	fist_nonbond_env_types::fist_nonbond_env_set (fist_nonbond_env, potparm14, potparm, rlist_cut, rlist_lowsq, nonbonded, aup, lup, ei_scale14, vdw_scale14, shift_cutoff, do_electrostatics, r_last_update, r_last_update_pbc, rshell_last_update_pbc, rcore_last_update_pbc, cell_last_update, num_update, last_update, counter, natom_types, long_range_correction, eam_data, quip_data, nequip_data, allegro_data, deepmd_data, charges)
	sets a fist_nonbond_env
subroutine, public	fist_nonbond_env_types::fist_nonbond_env_create (fist_nonbond_env, atomic_kind_set, potparm14, potparm, do_nonbonded, do_electrostatics, verlet_skin, ewald_rcut, ei_scale14, vdw_scale14, shift_cutoff)
	allocates and intitializes a fist_nonbond_env
subroutine, public	fist_nonbond_env_types::fist_nonbond_env_release (fist_nonbond_env)
	releases the given fist_nonbond_env (see doc/ReferenceCounting.html)