| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qmmm_init.F | 212 … added_charges, added_shells, qmmm_section, nocompatibility, shell_model) argument
216 TYPE(add_set_type), POINTER :: added_charges local
373 mm_atom_chrg, qs_env, added_charges, added_shells, & argument
379 TYPE(add_set_type), POINTER :: added_charges local
476 added_charges, added_shells, print_section) argument
479 TYPE(add_set_type), POINTER :: added_charges local
540 TYPE(add_set_type), POINTER :: added_charges local
1269 added_charges, mm_atom_index) argument
1274 TYPE(add_set_type), POINTER :: added_charges local
1395 …SUBROUTINE set_add_set_type(added_charges, icount, Index1, Index2, alpha, radius, c_radius, charge… argument
[all …]
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| H A D | qmmm_types_low.F | 229 TYPE(add_set_type), POINTER :: added_charges component
630 SUBROUTINE add_set_release(added_charges) argument
631 TYPE(add_set_type), POINTER :: added_charges local
725 SUBROUTINE create_add_set_type(added_charges, ndim) argument
726 TYPE(add_set_type), POINTER :: added_charges local
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| H A D | qmmm_links_methods.F | 153 TYPE(add_set_type), POINTER :: added_charges local
183 TYPE(add_set_type), POINTER :: added_charges local
|
| H A D | qmmm_create.F | 126 TYPE(add_set_type), POINTER :: added_charges local
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qmmm_init.F | 212 … added_charges, added_shells, qmmm_section, nocompatibility, shell_model) argument
216 TYPE(add_set_type), POINTER :: added_charges local
373 mm_atom_chrg, qs_env, added_charges, added_shells, & argument
379 TYPE(add_set_type), POINTER :: added_charges local
476 added_charges, added_shells, print_section) argument
479 TYPE(add_set_type), POINTER :: added_charges local
540 TYPE(add_set_type), POINTER :: added_charges local
1269 added_charges, mm_atom_index) argument
1274 TYPE(add_set_type), POINTER :: added_charges local
1395 …SUBROUTINE set_add_set_type(added_charges, icount, Index1, Index2, alpha, radius, c_radius, charge… argument
[all …]
|
| H A D | qmmm_types_low.F | 229 TYPE(add_set_type), POINTER :: added_charges component
630 SUBROUTINE add_set_release(added_charges) argument
631 TYPE(add_set_type), POINTER :: added_charges local
725 SUBROUTINE create_add_set_type(added_charges, ndim) argument
726 TYPE(add_set_type), POINTER :: added_charges local
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| H A D | qmmm_links_methods.F | 153 TYPE(add_set_type), POINTER :: added_charges local
183 TYPE(add_set_type), POINTER :: added_charges local
|
| H A D | qmmm_create.F | 126 TYPE(add_set_type), POINTER :: added_charges local
|