| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_tddfpt2_methods.F | 111 LOGICAL :: do_admm, do_hfx, is_restarted local
430 SUBROUTINE tddfpt_input(qs_env, do_hfx, do_admm, xc_section, tddfpt_print_section) argument
432 LOGICAL, INTENT(INOUT) :: do_hfx, do_admm local
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| H A D | qs_tddfpt2_fhxc.F | 66 do_hfx, qs_env, kernel_env, kernel_env_admm_aux, & argument
69 LOGICAL, INTENT(in) :: is_rks_triplets, do_hfx local
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| H A D | atom_electronic_structure.F | 135 … LOGICAL :: do_hfx, doguess, is_converged, need_vxc, & local
453 LOGICAL :: do_hfx, doguess, is_converged, lsdpot, & local
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| H A D | qs_tddfpt2_eigensolver.F | 305 do_hfx, matrix_ks, qs_env, kernel_env, & argument
311 LOGICAL, INTENT(in) :: do_hfx local
649 LOGICAL, INTENT(in) :: do_hfx local
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| H A D | xc_adiabatic_utils.F | 81 LOGICAL :: do_adiabatic_rescaling, do_hfx, gapw, & local
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| H A D | qs_tddfpt2_types.F | 250 SUBROUTINE tddfpt_create_work_matrices(work_matrices, gs_mos, nstates, do_hfx, qs_env, sub_env) argument
255 LOGICAL, INTENT(in) :: do_hfx local
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| H A D | qs_tddfpt2_utils.F | 488 SUBROUTINE tddfpt_oecorr(qs_env, gs_mos, matrix_ks_oep, do_hfx) argument
493 LOGICAL, INTENT(IN) :: do_hfx local
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| H A D | hfx_admm_utils.F | 125 LOGICAL :: do_hfx, my_do_mp2_hfx, s_mstruct_changed local
1348 LOGICAL :: distribute_fock_matrix, do_hfx, & local
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| H A D | rt_propagation_types.F | 99 LOGICAL :: do_hfx component
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| H A D | rpa_axk.F | 502 LOGICAL :: do_hfx local
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| H A D | xas_tdp_types.F | 109 LOGICAL :: do_hfx component
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| H A D | rpa_rse.F | 109 LOGICAL :: beta, do_hfx, hfx_treat_lsd_in_core local
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| H A D | xas_tdp_utils.F | 165 LOGICAL :: do_coul, do_hfx, do_os, do_sc, do_sf, & local
1145 SUBROUTINE build_aux_matrix(threshold, sx, matrix_a, matrix_d, matrix_e, do_hfx, proj_Q, & argument
1150 LOGICAL, INTENT(IN) :: do_hfx local
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| H A D | qs_environment.F | 258 LOGICAL :: do_admm_rpa, do_et, do_exx, do_hfx, & local
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| H A D | response_solver.F | 316 LOGICAL :: distribute_fock_matrix, do_hfx, & local
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| H A D | atom_types.F | 1191 SUBROUTINE setup_hf_section(hf_frac, do_hfx, atom, xc_section, extype) argument
1193 LOGICAL, INTENT(OUT) :: do_hfx local
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | atom_electronic_structure.F | 135 … LOGICAL :: do_hfx, doguess, is_converged, need_vxc, & local
453 LOGICAL :: do_hfx, doguess, is_converged, lsdpot, & local
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| H A D | xc_adiabatic_utils.F | 81 LOGICAL :: do_adiabatic_rescaling, do_hfx, gapw, & local
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| H A D | hfx_admm_utils.F | 109 LOGICAL :: do_hfx, my_do_mp2_hfx, s_mstruct_changed local
977 LOGICAL :: distribute_fock_matrix, do_hfx, & local
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| H A D | qs_tddfpt2_methods.F | 310 LOGICAL :: do_admm, do_hfx, explicit_xc, & local
650 SUBROUTINE tddfpt_create_work_matrices(work_matrices, gs_mos, nstates, do_hfx, qs_env, sub_env) argument
655 LOGICAL, INTENT(in) :: do_hfx local
2217 … do_hfx, matrix_ks, qs_env, kernel_env, kernel_env_admm_aux, & argument
2222 LOGICAL, INTENT(in) :: is_rks_triplets, do_hfx local
2613 LOGICAL, INTENT(in) :: do_hfx local
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| H A D | rt_propagation_types.F | 99 LOGICAL :: do_hfx component
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| H A D | rpa_axk.F | 502 LOGICAL :: do_hfx local
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| H A D | xas_tdp_types.F | 108 LOGICAL :: do_hfx component
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| H A D | rpa_rse.F | 109 LOGICAL :: beta, do_hfx, hfx_treat_lsd_in_core local
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| H A D | qs_environment.F | 251 LOGICAL :: do_admm_rpa, do_et, do_exx, do_hfx, & local
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