Collaboration diagram for fist_nonbond_env_types::fist_nonbond_env_type:
Private Attributes | |
| INTEGER | ref_count |
| INTEGER | id_nr |
| INTEGER | natom_types |
| INTEGER | counter |
| INTEGER | last_update |
| INTEGER | num_update |
| LOGICAL | do_nonbonded |
| LOGICAL | shift_cutoff |
| CHARACTER(len=default_string_length) | unit_type |
| REAL(KIND=dp) | lup |
| REAL(KIND=dp) | aup |
| REAL(KIND=dp) | ei_scale14 |
| REAL(KIND=dp) | vdw_scale14 |
| REAL(KIND=dp) | long_range_correction |
| REAL(KIND=dp), dimension(:,:), pointer | rlist_cut |
| REAL(KIND=dp), dimension(:,:), pointer | rlist_lowsq |
| REAL(KIND=dp), dimension(:,:), pointer | ij_kind_full_fac |
| REAL(KIND=dp), dimension(:), pointer | charges |
| TYPE(fist_neighbor_type), pointer | nonbonded |
| TYPE(pair_potential_pp_type), pointer | potparm14 |
| TYPE(pair_potential_pp_type), pointer | potparm |
| TYPE(cell_type), pointer | cell_last_update |
| TYPE(pos_type), dimension(:), pointer | r_last_update |
| TYPE(pos_type), dimension(:), pointer | r_last_update_pbc |
| TYPE(pos_type), dimension(:), pointer | rshell_last_update_pbc |
| TYPE(pos_type), dimension(:), pointer | rcore_last_update_pbc |
| TYPE(eam_type), dimension(:), pointer | eam_data |
Detailed Description
Definition at line 45 of file fist_nonbond_env_types.f90.
Member Data Documentation
REAL (KIND=dp) fist_nonbond_env_types::fist_nonbond_env_type::aup [private] |
Definition at line 50 of file fist_nonbond_env_types.f90.
TYPE(cell_type),pointer fist_nonbond_env_types::fist_nonbond_env_type::cell_last_update [private] |
Definition at line 57 of file fist_nonbond_env_types.f90.
REAL (KIND=dp),dimension ( : ),pointer fist_nonbond_env_types::fist_nonbond_env_type::charges [private] |
Definition at line 54 of file fist_nonbond_env_types.f90.
Definition at line 47 of file fist_nonbond_env_types.f90.
LOGICAL fist_nonbond_env_types::fist_nonbond_env_type::do_nonbonded [private] |
Definition at line 48 of file fist_nonbond_env_types.f90.
TYPE(eam_type),dimension(:),pointer fist_nonbond_env_types::fist_nonbond_env_type::eam_data [private] |
Definition at line 61 of file fist_nonbond_env_types.f90.
REAL (KIND=dp) fist_nonbond_env_types::fist_nonbond_env_type::ei_scale14 [private] |
Definition at line 50 of file fist_nonbond_env_types.f90.
Definition at line 46 of file fist_nonbond_env_types.f90.
REAL (KIND=dp),dimension ( :, : ),pointer fist_nonbond_env_types::fist_nonbond_env_type::ij_kind_full_fac [private] |
Definition at line 53 of file fist_nonbond_env_types.f90.
Definition at line 47 of file fist_nonbond_env_types.f90.
REAL (KIND=dp) fist_nonbond_env_types::fist_nonbond_env_type::long_range_correction [private] |
Definition at line 52 of file fist_nonbond_env_types.f90.
REAL (KIND=dp) fist_nonbond_env_types::fist_nonbond_env_type::lup [private] |
Definition at line 50 of file fist_nonbond_env_types.f90.
Definition at line 46 of file fist_nonbond_env_types.f90.
TYPE(fist_neighbor_type),pointer fist_nonbond_env_types::fist_nonbond_env_type::nonbonded [private] |
Definition at line 55 of file fist_nonbond_env_types.f90.
Definition at line 47 of file fist_nonbond_env_types.f90.
TYPE(pair_potential_pp_type),pointer fist_nonbond_env_types::fist_nonbond_env_type::potparm [private] |
Definition at line 56 of file fist_nonbond_env_types.f90.
TYPE(pair_potential_pp_type),pointer fist_nonbond_env_types::fist_nonbond_env_type::potparm14 [private] |
Definition at line 56 of file fist_nonbond_env_types.f90.
TYPE(pos_type),dimension(:),pointer fist_nonbond_env_types::fist_nonbond_env_type::r_last_update [private] |
Definition at line 58 of file fist_nonbond_env_types.f90.
TYPE(pos_type),dimension(:),pointer fist_nonbond_env_types::fist_nonbond_env_type::r_last_update_pbc [private] |
Definition at line 58 of file fist_nonbond_env_types.f90.
TYPE(pos_type),dimension(:),pointer fist_nonbond_env_types::fist_nonbond_env_type::rcore_last_update_pbc [private] |
Definition at line 60 of file fist_nonbond_env_types.f90.
Definition at line 46 of file fist_nonbond_env_types.f90.
REAL (KIND=dp),dimension ( :, : ),pointer fist_nonbond_env_types::fist_nonbond_env_type::rlist_cut [private] |
Definition at line 53 of file fist_nonbond_env_types.f90.
REAL (KIND=dp),dimension ( :, : ),pointer fist_nonbond_env_types::fist_nonbond_env_type::rlist_lowsq [private] |
Definition at line 53 of file fist_nonbond_env_types.f90.
TYPE(pos_type),dimension(:),pointer fist_nonbond_env_types::fist_nonbond_env_type::rshell_last_update_pbc [private] |
Definition at line 59 of file fist_nonbond_env_types.f90.
LOGICAL fist_nonbond_env_types::fist_nonbond_env_type::shift_cutoff [private] |
Definition at line 48 of file fist_nonbond_env_types.f90.
CHARACTER ( len = default_string_length ) fist_nonbond_env_types::fist_nonbond_env_type::unit_type [private] |
Definition at line 49 of file fist_nonbond_env_types.f90.
REAL (KIND=dp) fist_nonbond_env_types::fist_nonbond_env_type::vdw_scale14 [private] |
Definition at line 50 of file fist_nonbond_env_types.f90.
The documentation for this struct was generated from the following file:
