Collaboration diagram for qmmm_types::qmmm_env_qm_type:
Private Attributes | |
| INTEGER | ref_count |
| INTEGER | id_nr |
| LOGICAL | center_qm_subsys |
| LOGICAL | center_qm_subsys0 |
| LOGICAL | do_translate |
| LOGICAL | compatibility |
| LOGICAL | qmmm_link |
| LOGICAL | move_mm_charges |
| LOGICAL | add_mm_charges |
| LOGICAL | periodic |
| LOGICAL | image_charge |
| INTEGER | par_scheme |
| INTEGER | qmmm_coupl_type |
| INTEGER | num_qm_atoms |
| INTEGER | num_mm_atoms |
| INTEGER | num_image_mm_atoms |
| REAL(KIND=dp) | eps_mm_rspace |
| REAL(KIND=dp), dimension(3) | dOmmOqm |
| REAL(KIND=dp), dimension(3) | utrasl |
| REAL(KIND=dp), dimension(3) | transl_v |
| REAL(KIND=dp), dimension(2) | spherical_cutoff |
| REAL(KIND=dp), dimension(:), pointer | maxradius |
| INTEGER, dimension(:), pointer | qm_atom_index |
| INTEGER, dimension(:), pointer | mm_atom_index |
| INTEGER, dimension(:), pointer | mm_link_atoms |
| REAL(KIND=dp), dimension(:), pointer | mm_atom_chrg |
| REAL(KIND=dp), dimension(:), pointer | mm_el_pot_radius |
| REAL(KIND=dp), dimension(:), pointer | mm_el_pot_radius_corr |
| TYPE(qmmm_pot_p_type), dimension(:), pointer | Potentials |
| TYPE(qmmm_per_pot_p_type), dimension(:), pointer | Per_Potentials |
| TYPE(gridlevel_info_type) | gridlevel_info |
| TYPE(qmmm_gaussian_p_type), dimension(:), pointer | pgfs |
| TYPE(pw_pool_p_type), dimension(:), pointer | aug_pools |
| TYPE(qmmm_links_type), pointer | qmmm_links |
| TYPE(add_set_type), pointer | added_charges |
| TYPE(image_charge_type), pointer | image_charge_pot |
Detailed Description
Definition at line 171 of file qmmm_types.f90.
Member Data Documentation
LOGICAL qmmm_types::qmmm_env_qm_type::add_mm_charges [private] |
Definition at line 178 of file qmmm_types.f90.
TYPE(add_set_type),pointer qmmm_types::qmmm_env_qm_type::added_charges [private] |
Definition at line 202 of file qmmm_types.f90.
TYPE(pw_pool_p_type),dimension(:),pointer qmmm_types::qmmm_env_qm_type::aug_pools [private] |
Definition at line 200 of file qmmm_types.f90.
LOGICAL qmmm_types::qmmm_env_qm_type::center_qm_subsys [private] |
Definition at line 173 of file qmmm_types.f90.
LOGICAL qmmm_types::qmmm_env_qm_type::center_qm_subsys0 [private] |
Definition at line 174 of file qmmm_types.f90.
LOGICAL qmmm_types::qmmm_env_qm_type::compatibility [private] |
Definition at line 175 of file qmmm_types.f90.
LOGICAL qmmm_types::qmmm_env_qm_type::do_translate [private] |
Definition at line 174 of file qmmm_types.f90.
REAL(KIND=dp),dimension(3) qmmm_types::qmmm_env_qm_type::dOmmOqm [private] |
Definition at line 187 of file qmmm_types.f90.
REAL(KIND=dp) qmmm_types::qmmm_env_qm_type::eps_mm_rspace [private] |
Definition at line 186 of file qmmm_types.f90.
TYPE(gridlevel_info_type) qmmm_types::qmmm_env_qm_type::gridlevel_info [private] |
Definition at line 198 of file qmmm_types.f90.
INTEGER qmmm_types::qmmm_env_qm_type::id_nr [private] |
Definition at line 172 of file qmmm_types.f90.
LOGICAL qmmm_types::qmmm_env_qm_type::image_charge [private] |
Definition at line 180 of file qmmm_types.f90.
TYPE(image_charge_type),pointer qmmm_types::qmmm_env_qm_type::image_charge_pot [private] |
Definition at line 203 of file qmmm_types.f90.
REAL(KIND=dp),dimension(:),pointer qmmm_types::qmmm_env_qm_type::maxradius [private] |
Definition at line 189 of file qmmm_types.f90.
REAL(KIND=dp),dimension(:),pointer qmmm_types::qmmm_env_qm_type::mm_atom_chrg [private] |
Definition at line 193 of file qmmm_types.f90.
INTEGER,dimension(:),pointer qmmm_types::qmmm_env_qm_type::mm_atom_index [private] |
Definition at line 191 of file qmmm_types.f90.
REAL(KIND=dp),dimension(:),pointer qmmm_types::qmmm_env_qm_type::mm_el_pot_radius [private] |
Definition at line 194 of file qmmm_types.f90.
REAL(KIND=dp),dimension(:),pointer qmmm_types::qmmm_env_qm_type::mm_el_pot_radius_corr [private] |
Definition at line 195 of file qmmm_types.f90.
INTEGER,dimension(:),pointer qmmm_types::qmmm_env_qm_type::mm_link_atoms [private] |
Definition at line 192 of file qmmm_types.f90.
LOGICAL qmmm_types::qmmm_env_qm_type::move_mm_charges [private] |
Definition at line 177 of file qmmm_types.f90.
Definition at line 185 of file qmmm_types.f90.
Definition at line 184 of file qmmm_types.f90.
Definition at line 183 of file qmmm_types.f90.
Definition at line 181 of file qmmm_types.f90.
TYPE(qmmm_per_pot_p_type),dimension(:),pointer qmmm_types::qmmm_env_qm_type::Per_Potentials [private] |
Definition at line 197 of file qmmm_types.f90.
LOGICAL qmmm_types::qmmm_env_qm_type::periodic [private] |
Definition at line 179 of file qmmm_types.f90.
TYPE(qmmm_gaussian_p_type),dimension(:),pointer qmmm_types::qmmm_env_qm_type::pgfs [private] |
Definition at line 199 of file qmmm_types.f90.
TYPE(qmmm_pot_p_type),dimension(:),pointer qmmm_types::qmmm_env_qm_type::Potentials [private] |
Definition at line 196 of file qmmm_types.f90.
INTEGER,dimension(:),pointer qmmm_types::qmmm_env_qm_type::qm_atom_index [private] |
Definition at line 190 of file qmmm_types.f90.
Definition at line 182 of file qmmm_types.f90.
LOGICAL qmmm_types::qmmm_env_qm_type::qmmm_link [private] |
Definition at line 176 of file qmmm_types.f90.
TYPE(qmmm_links_type),pointer qmmm_types::qmmm_env_qm_type::qmmm_links [private] |
Definition at line 201 of file qmmm_types.f90.
Definition at line 172 of file qmmm_types.f90.
REAL(KIND=dp),dimension(2) qmmm_types::qmmm_env_qm_type::spherical_cutoff [private] |
Definition at line 188 of file qmmm_types.f90.
REAL(KIND=dp),dimension(3) qmmm_types::qmmm_env_qm_type::transl_v [private] |
Definition at line 187 of file qmmm_types.f90.
REAL(KIND=dp),dimension(3) qmmm_types::qmmm_env_qm_type::utrasl [private] |
Definition at line 187 of file qmmm_types.f90.
The documentation for this struct was generated from the following file:
