| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_mo_types.F | 82 deallocate_mo_set, &
168 IF (ASSOCIATED(mo_set)) CALL deallocate_mo_set(mo_set)
311 SUBROUTINE deallocate_mo_set(mo_set) subroutine
330 END SUBROUTINE deallocate_mo_set argument
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| H A D | qs_active_space_types.F | 21 USE qs_mo_types, ONLY: deallocate_mo_set,&
156 CALL deallocate_mo_set(active_space_env%mos_active(imo)%mo_set)
163 CALL deallocate_mo_set(active_space_env%mos_inactive(imo)%mo_set)
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| H A D | qs_scf_wfn_mix.F | 33 USE qs_mo_types, ONLY: deallocate_mo_set,&
188 CALL deallocate_mo_set(mos_new(ispin)%mo_set)
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| H A D | qs_scf.F | 129 USE qs_mo_types, ONLY: deallocate_mo_set,&
1289 CALL deallocate_mo_set(mos(ispin)%mo_set)
1313 CALL deallocate_mo_set(mos_stashed(ispin)%mo_set)
1535 CALL deallocate_mo_set(mos_ls(ispin)%mo_set)
1562 CALL deallocate_mo_set(mos(ispin)%mo_set)
1566 CALL deallocate_mo_set(mos_ls(ispin)%mo_set)
1589 CALL deallocate_mo_set(mos(ispin)%mo_set)
1610 CALL deallocate_mo_set(mos_stashed(ispin)%mo_set)
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| H A D | kpoint_types.F | 37 USE qs_mo_types, ONLY: deallocate_mo_set,&
727 CALL deallocate_mo_set(kp_env%mos(ic, is)%mo_set)
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| H A D | minbas_wfn_analysis.F | 82 deallocate_mo_set,&
377 CALL deallocate_mo_set(mbas(ispin)%mo_set)
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| H A D | qs_environment_types.F | 122 USE qs_mo_types, ONLY: deallocate_mo_set,&
1360 CALL deallocate_mo_set(qs_env%mos(i)%mo_set)
1366 CALL deallocate_mo_set(qs_env%mos_aux_fit(i)%mo_set)
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| H A D | qs_fb_env_methods.F | 93 deallocate_mo_set,&
584 CALL deallocate_mo_set(mo_set=mos_filtered(ispin)%mo_set)
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| H A D | et_coupling_proj.F | 84 deallocate_mo_set,&
180 CALL deallocate_mo_set(ec%block(i)%mo(j)%mo_set)
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| H A D | mp2.F | 119 deallocate_mo_set,&
750 CALL deallocate_mo_set(mo_set=mos_mp2(ispin)%mo_set)
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| H A D | xas_tdp_methods.F | 101 deallocate_mo_set,&
2531 CALL deallocate_mo_set(mo_set)
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| H A D | qs_tddfpt2_methods.F | 123 deallocate_mo_set,&
1324 CALL deallocate_mo_set(mos_extended)
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_mo_types.F | 82 deallocate_mo_set, &
212 IF (ASSOCIATED(mo_set)) CALL deallocate_mo_set(mo_set)
355 SUBROUTINE deallocate_mo_set(mo_set) subroutine
374 END SUBROUTINE deallocate_mo_set argument
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| H A D | qs_active_space_types.F | 21 USE qs_mo_types, ONLY: deallocate_mo_set,&
156 CALL deallocate_mo_set(active_space_env%mos_active(imo)%mo_set)
163 CALL deallocate_mo_set(active_space_env%mos_inactive(imo)%mo_set)
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| H A D | qs_scf_wfn_mix.F | 33 USE qs_mo_types, ONLY: deallocate_mo_set,&
188 CALL deallocate_mo_set(mos_new(ispin)%mo_set)
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| H A D | qs_scf.F | 129 USE qs_mo_types, ONLY: deallocate_mo_set,&
1323 CALL deallocate_mo_set(mos(ispin)%mo_set)
1347 CALL deallocate_mo_set(mos_stashed(ispin)%mo_set)
1569 CALL deallocate_mo_set(mos_ls(ispin)%mo_set)
1596 CALL deallocate_mo_set(mos(ispin)%mo_set)
1600 CALL deallocate_mo_set(mos_ls(ispin)%mo_set)
1623 CALL deallocate_mo_set(mos(ispin)%mo_set)
1644 CALL deallocate_mo_set(mos_stashed(ispin)%mo_set)
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| H A D | kpoint_types.F | 37 USE qs_mo_types, ONLY: deallocate_mo_set,&
727 CALL deallocate_mo_set(kp_env%mos(ic, is)%mo_set)
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| H A D | qs_environment_types.F | 124 USE qs_mo_types, ONLY: deallocate_mo_set,&
1405 CALL deallocate_mo_set(qs_env%mos(i)%mo_set)
1411 CALL deallocate_mo_set(qs_env%mos_aux_fit(i)%mo_set)
1417 CALL deallocate_mo_set(qs_env%mos_last_converged(i)%mo_set)
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| H A D | minbas_wfn_analysis.F | 82 deallocate_mo_set,&
377 CALL deallocate_mo_set(mbas(ispin)%mo_set)
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| H A D | qs_tddfpt2_utils.F | 63 deallocate_mo_set,&
438 IF (do_eigen) CALL deallocate_mo_set(mos_extended)
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| H A D | qs_fb_env_methods.F | 93 deallocate_mo_set,&
584 CALL deallocate_mo_set(mo_set=mos_filtered(ispin)%mo_set)
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| H A D | qs_tddfpt2_properties.F | 100 deallocate_mo_set,&
1130 CALL deallocate_mo_set(nto_set(i)%mo_set)
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| H A D | et_coupling_proj.F | 84 deallocate_mo_set,&
180 CALL deallocate_mo_set(ec%block(i)%mo(j)%mo_set)
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| H A D | mp2.F | 114 deallocate_mo_set,&
749 CALL deallocate_mo_set(mo_set=mos_mp2(ispin)%mo_set)
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| H A D | xas_tdp_methods.F | 101 deallocate_mo_set,&
2527 CALL deallocate_mo_set(mo_set)
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