| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qmmm_init.F | 110 SUBROUTINE assign_mm_charges_and_radius(subsys, charges, mm_atom_chrg, mm_el_pot_radius, & argument
115 REAL(dp), DIMENSION(:), POINTER :: mm_atom_chrg, mm_el_pot_radius, & local
211 …SUBROUTINE print_qmmm_charges(mm_atom_index, mm_atom_chrg, mm_el_pot_radius, mm_el_pot_radius_corr… argument
214 REAL(dp), DIMENSION(:), POINTER :: mm_atom_chrg, mm_el_pot_radius, & local
373 mm_atom_chrg, qs_env, added_charges, added_shells, & argument
377 REAL(KIND=dp), DIMENSION(:), POINTER :: mm_atom_chrg local
543 REAL(KIND=dp), DIMENSION(:), POINTER :: mm_atom_chrg local
1268 mm_atom_chrg, mm_el_pot_radius, mm_el_pot_radius_corr, & argument
1272 REAL(KIND=dp), DIMENSION(:), POINTER :: mm_atom_chrg, mm_el_pot_radius, & local
1396 … mm_atom_chrg, mm_el_pot_radius, mm_el_pot_radius_corr, mm_atom_index, move, ind1) argument
[all …]
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| H A D | qmmm_types_low.F | 151 REAL(KIND=dp), DIMENSION(:), POINTER :: mm_atom_chrg component
220 REAL(KIND=dp), DIMENSION(:), POINTER :: mm_atom_chrg component
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| H A D | qmmm_create.F | 120 REAL(dp), DIMENSION(:), POINTER :: mm_atom_chrg, mm_el_pot_radius, & local
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qmmm_init.F | 110 SUBROUTINE assign_mm_charges_and_radius(subsys, charges, mm_atom_chrg, mm_el_pot_radius, & argument
115 REAL(dp), DIMENSION(:), POINTER :: mm_atom_chrg, mm_el_pot_radius, & local
211 …SUBROUTINE print_qmmm_charges(mm_atom_index, mm_atom_chrg, mm_el_pot_radius, mm_el_pot_radius_corr… argument
214 REAL(dp), DIMENSION(:), POINTER :: mm_atom_chrg, mm_el_pot_radius, & local
373 mm_atom_chrg, qs_env, added_charges, added_shells, & argument
377 REAL(KIND=dp), DIMENSION(:), POINTER :: mm_atom_chrg local
543 REAL(KIND=dp), DIMENSION(:), POINTER :: mm_atom_chrg local
1268 mm_atom_chrg, mm_el_pot_radius, mm_el_pot_radius_corr, & argument
1272 REAL(KIND=dp), DIMENSION(:), POINTER :: mm_atom_chrg, mm_el_pot_radius, & local
1396 … mm_atom_chrg, mm_el_pot_radius, mm_el_pot_radius_corr, mm_atom_index, move, ind1) argument
[all …]
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| H A D | qmmm_types_low.F | 151 REAL(KIND=dp), DIMENSION(:), POINTER :: mm_atom_chrg component
220 REAL(KIND=dp), DIMENSION(:), POINTER :: mm_atom_chrg component
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| H A D | qmmm_create.F | 120 REAL(dp), DIMENSION(:), POINTER :: mm_atom_chrg, mm_el_pot_radius, & local
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