Searched refs:exclude_ei (Results 1 – 8 of 8) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | topology_coordinate_util.F | 580 IF ((topology%exclude_vdw == topology%exclude_ei) .AND. &
588 IF (topology%exclude_ei == do_skip_12 .OR. &
589 topology%exclude_ei == do_skip_13 .OR. &
590 topology%exclude_ei == do_skip_14) dim1 = SIZE(ex_bond_list_ei(iatom)%array1)
593 IF (topology%exclude_ei == do_skip_13 .OR. &
594 topology%exclude_ei == do_skip_14) dim2 = SIZE(ex_bend_list(iatom)%array1)
597 IF (topology%exclude_ei == do_skip_14) dim3 = SIZE(ex_onfo_list(iatom)%array1)
638 IF (topology%exclude_vdw /= topology%exclude_ei) THEN
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| H A D | force_fields.F | 106 INTEGER :: exclude_ei, exclude_vdw, handle, iw local
134 CALL section_vals_val_get(topology_section, "EXCLUDE_EI", i_val=exclude_ei)
136 IF (exclude_ei == do_skip_14) ff_type%ei_scale14 = 0.0_dp
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| H A D | topology_types.F | 148 INTEGER :: exclude_ei component
246 topology%exclude_ei = do_skip_13
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| H A D | topology_input.F | 89 CALL section_vals_val_get(topology_section, "EXCLUDE_EI", i_val=topology%exclude_ei)
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | topology_coordinate_util.F | 580 IF ((topology%exclude_vdw == topology%exclude_ei) .AND. &
588 IF (topology%exclude_ei == do_skip_12 .OR. &
589 topology%exclude_ei == do_skip_13 .OR. &
590 topology%exclude_ei == do_skip_14) dim1 = SIZE(ex_bond_list_ei(iatom)%array1)
593 IF (topology%exclude_ei == do_skip_13 .OR. &
594 topology%exclude_ei == do_skip_14) dim2 = SIZE(ex_bend_list(iatom)%array1)
597 IF (topology%exclude_ei == do_skip_14) dim3 = SIZE(ex_onfo_list(iatom)%array1)
638 IF (topology%exclude_vdw /= topology%exclude_ei) THEN
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| H A D | force_fields.F | 106 INTEGER :: exclude_ei, exclude_vdw, handle, iw local
134 CALL section_vals_val_get(topology_section, "EXCLUDE_EI", i_val=exclude_ei)
136 IF (exclude_ei == do_skip_14) ff_type%ei_scale14 = 0.0_dp
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| H A D | topology_types.F | 148 INTEGER :: exclude_ei component
246 topology%exclude_ei = do_skip_13
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| H A D | topology_input.F | 89 CALL section_vals_val_get(topology_section, "EXCLUDE_EI", i_val=topology%exclude_ei)
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