Searched refs:mm_particles (Results 1 – 6 of 6) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qmmm_gpw_forces.F | 255 mm_particles=mm_particles, &
305 mm_particles=mm_particles, &
345 mm_particles(IndMM)%f(:) = -Forces(:, Imm) + mm_particles(IndMM)%f(:)
432 CPASSERT(ASSOCIATED(mm_particles))
723 mm_particles=mm_particles, &
741 mm_particles=mm_particles, &
1155 mm_particles=mm_particles, &
1333 mm_particles=mm_particles, &
1428 mm_particles=mm_particles, &
1681 mm_particles=mm_particles, &
[all …]
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| H A D | qmmm_gpw_energy.F | 95 SUBROUTINE qmmm_el_coupling(qs_env, qmmm_env, mm_particles, mm_cell) argument
98 TYPE(particle_type), DIMENSION(:), POINTER :: mm_particles local
188 mm_particles=mm_particles, &
244 SUBROUTINE qmmm_elec_with_gaussian(qmmm_env, v_qmmm, mm_particles, & argument
249 TYPE(particle_type), DIMENSION(:), POINTER :: mm_particles local
267 CPASSERT(ASSOCIATED(mm_particles))
282 CALL qmmm_elec_with_gaussian_low(grids, mm_particles, &
378 TYPE(particle_type), DIMENSION(:), POINTER :: mm_particles local
482 mm_particles=mm_particles, &
496 mm_particles=mm_particles, &
[all …]
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| H A D | qmmm_force.F | 159 mm_particles=particles_mm, &
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qmmm_gpw_forces.F | 255 mm_particles=mm_particles,&
305 mm_particles=mm_particles,&
345 mm_particles(IndMM)%f(:) = - Forces(:,Imm) + mm_particles(IndMM)%f(:)
432 CPASSERT(ASSOCIATED(mm_particles))
723 mm_particles=mm_particles,&
741 mm_particles=mm_particles,&
1156 mm_particles=mm_particles,&
1334 mm_particles=mm_particles,&
1429 mm_particles=mm_particles,&
1682 mm_particles=mm_particles,&
[all …]
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| H A D | qmmm_gpw_energy.F | 95 SUBROUTINE qmmm_el_coupling(qs_env, qmmm_env, mm_particles, mm_cell) argument
98 TYPE(particle_type), DIMENSION(:), POINTER :: mm_particles local
188 mm_particles=mm_particles, &
244 SUBROUTINE qmmm_elec_with_gaussian(qmmm_env, v_qmmm, mm_particles, & argument
249 TYPE(particle_type), DIMENSION(:), POINTER :: mm_particles local
267 CPASSERT(ASSOCIATED(mm_particles))
282 CALL qmmm_elec_with_gaussian_low(grids, mm_particles, &
378 TYPE(particle_type), DIMENSION(:), POINTER :: mm_particles local
482 mm_particles=mm_particles, &
496 mm_particles=mm_particles, &
[all …]
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| H A D | qmmm_force.F | 159 mm_particles=particles_mm, &
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