Data Fields
integer	natom_types = -1

integer	counter = -1

integer	last_update = -1

integer	num_update = -1

logical	do_nonbonded = .FALSE.

logical	do_electrostatics = .FALSE.

logical	shift_cutoff = .FALSE.

character(len=default_string_length)	unit_type = ""

real(kind=dp)	lup = 0.0_dp

real(kind=dp)	aup = 0.0_dp

real(kind=dp)	ei_scale14 = 0.0_dp

real(kind=dp)	vdw_scale14 = 0.0_dp

real(kind=dp)	long_range_correction = 0.0_dp

real(kind=dp), dimension(:, :), pointer	rlist_cut => NULL()

real(kind=dp), dimension(:, :), pointer	rlist_lowsq => NULL()

real(kind=dp), dimension(:, :), pointer	ij_kind_full_fac => NULL()

real(kind=dp), dimension(:), pointer	charges => NULL()

type(fist_neighbor_type), pointer	nonbonded => NULL()

type(pair_potential_pp_type), pointer	potparm14 => NULL()

type(pair_potential_pp_type), pointer	potparm => NULL()

type(cell_type), pointer	cell_last_update => NULL()

type(pos_type), dimension(:), pointer	r_last_update => NULL()

type(pos_type), dimension(:), pointer	r_last_update_pbc => NULL()

type(pos_type), dimension(:), pointer	rshell_last_update_pbc => NULL()

type(pos_type), dimension(:), pointer	rcore_last_update_pbc => NULL()

type(eam_type), dimension(:), pointer	eam_data => NULL()

type(quip_data_type), pointer	quip_data => NULL()

type(deepmd_data_type), pointer	deepmd_data => NULL()

type(nequip_data_type), pointer	nequip_data => NULL()

type(allegro_data_type), pointer	allegro_data => NULL()

Detailed Description

Definition at line 81 of file fist_nonbond_env_types.F.

Field Documentation

◆ natom_types

integer fist_nonbond_env_types::fist_nonbond_env_type::natom_types = -1

Definition at line 82 of file fist_nonbond_env_types.F.

◆ counter

integer fist_nonbond_env_types::fist_nonbond_env_type::counter = -1

Definition at line 83 of file fist_nonbond_env_types.F.

◆ last_update

integer fist_nonbond_env_types::fist_nonbond_env_type::last_update = -1

Definition at line 84 of file fist_nonbond_env_types.F.

◆ num_update

integer fist_nonbond_env_types::fist_nonbond_env_type::num_update = -1

Definition at line 85 of file fist_nonbond_env_types.F.

◆ do_nonbonded

logical fist_nonbond_env_types::fist_nonbond_env_type::do_nonbonded = .FALSE.

Definition at line 86 of file fist_nonbond_env_types.F.

◆ do_electrostatics

logical fist_nonbond_env_types::fist_nonbond_env_type::do_electrostatics = .FALSE.

Definition at line 87 of file fist_nonbond_env_types.F.

◆ shift_cutoff

logical fist_nonbond_env_types::fist_nonbond_env_type::shift_cutoff = .FALSE.

Definition at line 88 of file fist_nonbond_env_types.F.

◆ unit_type

character(len=default_string_length) fist_nonbond_env_types::fist_nonbond_env_type::unit_type = ""

Definition at line 89 of file fist_nonbond_env_types.F.

◆ lup

real(kind=dp) fist_nonbond_env_types::fist_nonbond_env_type::lup = 0.0_dp

Definition at line 90 of file fist_nonbond_env_types.F.

◆ aup

real(kind=dp) fist_nonbond_env_types::fist_nonbond_env_type::aup = 0.0_dp

Definition at line 91 of file fist_nonbond_env_types.F.

◆ ei_scale14

real(kind=dp) fist_nonbond_env_types::fist_nonbond_env_type::ei_scale14 = 0.0_dp

Definition at line 92 of file fist_nonbond_env_types.F.

◆ vdw_scale14

real(kind=dp) fist_nonbond_env_types::fist_nonbond_env_type::vdw_scale14 = 0.0_dp

Definition at line 93 of file fist_nonbond_env_types.F.

◆ long_range_correction

real(kind=dp) fist_nonbond_env_types::fist_nonbond_env_type::long_range_correction = 0.0_dp

Definition at line 94 of file fist_nonbond_env_types.F.

◆ rlist_cut

real(kind=dp), dimension(:, :), pointer fist_nonbond_env_types::fist_nonbond_env_type::rlist_cut => NULL()

Definition at line 95 of file fist_nonbond_env_types.F.

◆ rlist_lowsq

real(kind=dp), dimension(:, :), pointer fist_nonbond_env_types::fist_nonbond_env_type::rlist_lowsq => NULL()

Definition at line 96 of file fist_nonbond_env_types.F.

◆ ij_kind_full_fac

real(kind=dp), dimension(:, :), pointer fist_nonbond_env_types::fist_nonbond_env_type::ij_kind_full_fac => NULL()

Definition at line 97 of file fist_nonbond_env_types.F.

◆ charges

real(kind=dp), dimension(:), pointer fist_nonbond_env_types::fist_nonbond_env_type::charges => NULL()

Definition at line 98 of file fist_nonbond_env_types.F.

◆ nonbonded

type(fist_neighbor_type), pointer fist_nonbond_env_types::fist_nonbond_env_type::nonbonded => NULL()

Definition at line 99 of file fist_nonbond_env_types.F.

◆ potparm14

type(pair_potential_pp_type), pointer fist_nonbond_env_types::fist_nonbond_env_type::potparm14 => NULL()

Definition at line 100 of file fist_nonbond_env_types.F.

◆ potparm

type(pair_potential_pp_type), pointer fist_nonbond_env_types::fist_nonbond_env_type::potparm => NULL()

Definition at line 101 of file fist_nonbond_env_types.F.

◆ cell_last_update

type(cell_type), pointer fist_nonbond_env_types::fist_nonbond_env_type::cell_last_update => NULL()

Definition at line 102 of file fist_nonbond_env_types.F.

◆ r_last_update

type(pos_type), dimension(:), pointer fist_nonbond_env_types::fist_nonbond_env_type::r_last_update => NULL()

Definition at line 103 of file fist_nonbond_env_types.F.

◆ r_last_update_pbc

type(pos_type), dimension(:), pointer fist_nonbond_env_types::fist_nonbond_env_type::r_last_update_pbc => NULL()

Definition at line 104 of file fist_nonbond_env_types.F.

◆ rshell_last_update_pbc

type(pos_type), dimension(:), pointer fist_nonbond_env_types::fist_nonbond_env_type::rshell_last_update_pbc => NULL()

Definition at line 105 of file fist_nonbond_env_types.F.

◆ rcore_last_update_pbc

type(pos_type), dimension(:), pointer fist_nonbond_env_types::fist_nonbond_env_type::rcore_last_update_pbc => NULL()

Definition at line 106 of file fist_nonbond_env_types.F.

◆ eam_data

type(eam_type), dimension(:), pointer fist_nonbond_env_types::fist_nonbond_env_type::eam_data => NULL()

Definition at line 107 of file fist_nonbond_env_types.F.

◆ quip_data

type(quip_data_type), pointer fist_nonbond_env_types::fist_nonbond_env_type::quip_data => NULL()

Definition at line 108 of file fist_nonbond_env_types.F.

◆ deepmd_data

type(deepmd_data_type), pointer fist_nonbond_env_types::fist_nonbond_env_type::deepmd_data => NULL()

Definition at line 109 of file fist_nonbond_env_types.F.

◆ nequip_data

type(nequip_data_type), pointer fist_nonbond_env_types::fist_nonbond_env_type::nequip_data => NULL()

Definition at line 110 of file fist_nonbond_env_types.F.

◆ allegro_data

type(allegro_data_type), pointer fist_nonbond_env_types::fist_nonbond_env_type::allegro_data => NULL()

Definition at line 111 of file fist_nonbond_env_types.F.

The documentation for this type was generated from the following file:

fist_nonbond_env_types.F

Data Fields