Searched refs:qmmm_link_imomm (Results 1 – 4 of 4) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qmmm_force.F | 84 qmmm_link_imomm local
101 qmmm_link_imomm = .FALSE.
124 IF (ASSOCIATED(qmmm_links%imomm)) qmmm_link_imomm = (SIZE(qmmm_links%imomm) /= 0)
148 IF (qmmm_link_imomm) CALL qmmm_link_Imomm_coord(qmmm_links, particles_qm, qm_atom_index)
192 IF (qmmm_link_imomm) CALL qmmm_link_Imomm_forces(qmmm_links, particles_qm, qm_atom_index)
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| H A D | qmmm_create.F | 329 IF (ASSOCIATED(qmmm_links%imomm)) qmmm_link_imomm = (SIZE(qmmm_links%imomm) /= 0)
350 IF (qmmm_link_imomm) CALL qmmm_link_Imomm_coord(qmmm_links, subsys_qm%particles%els, &
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qmmm_force.F | 84 qmmm_link_imomm local
101 qmmm_link_imomm = .FALSE.
124 IF (ASSOCIATED(qmmm_links%imomm)) qmmm_link_imomm = (SIZE(qmmm_links%imomm) /= 0)
148 IF (qmmm_link_imomm) CALL qmmm_link_Imomm_coord(qmmm_links, particles_qm, qm_atom_index)
192 IF (qmmm_link_imomm) CALL qmmm_link_Imomm_forces(qmmm_links, particles_qm, qm_atom_index)
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| H A D | qmmm_create.F | 329 IF (ASSOCIATED(qmmm_links%imomm)) qmmm_link_imomm = (SIZE(qmmm_links%imomm) /= 0)
350 IF (qmmm_link_imomm) CALL qmmm_link_Imomm_coord(qmmm_links, subsys_qm%particles%els, &
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