(git:c5411e0)
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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() |
Definition at line 81 of file fist_nonbond_env_types.F.
integer fist_nonbond_env_types::fist_nonbond_env_type::natom_types = -1 |
Definition at line 82 of file fist_nonbond_env_types.F.
integer fist_nonbond_env_types::fist_nonbond_env_type::counter = -1 |
Definition at line 83 of file fist_nonbond_env_types.F.
integer fist_nonbond_env_types::fist_nonbond_env_type::last_update = -1 |
Definition at line 84 of file fist_nonbond_env_types.F.
integer fist_nonbond_env_types::fist_nonbond_env_type::num_update = -1 |
Definition at line 85 of file fist_nonbond_env_types.F.
logical fist_nonbond_env_types::fist_nonbond_env_type::do_nonbonded = .FALSE. |
Definition at line 86 of file fist_nonbond_env_types.F.
logical fist_nonbond_env_types::fist_nonbond_env_type::do_electrostatics = .FALSE. |
Definition at line 87 of file fist_nonbond_env_types.F.
logical fist_nonbond_env_types::fist_nonbond_env_type::shift_cutoff = .FALSE. |
Definition at line 88 of file fist_nonbond_env_types.F.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.