Searched refs:wfm_rho_orb (Results 1 – 6 of 6) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | qs_tddfpt2_densities.F | 55 qs_env, sub_env, wfm_rho_orb) argument 60 TYPE(cp_fm_type), POINTER :: wfm_rho_orb local 80 0.0_dp, wfm_rho_orb) 82 CALL copy_fm_to_dbcsr(wfm_rho_orb, rho_ij_ao(ispin)%matrix, keep_sparsity=.TRUE.) 117 wfm_rho_orb, wfm_rho_aux_fit, wfm_aux_orb) argument 121 … TYPE(cp_fm_type), POINTER :: wfm_rho_orb, wfm_rho_aux_fit, wfm_aux_orb local 146 CALL copy_dbcsr_to_fm(rho_ao_orb(ispin)%matrix, wfm_rho_orb) 148 wfm_rho_orb, 0.0_dp, wfm_aux_orb)
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H A D | qs_tddfpt2_operators.F | 507 work_rho_ia_ao, work_hmat, wfm_rho_orb) argument 514 TYPE(cp_fm_type), POINTER :: wfm_rho_orb local 551 evects(ispin, ivect)%matrix, 0.0_dp, wfm_rho_orb) 553 gs_mos(ispin)%mos_occ, 1.0_dp, wfm_rho_orb) 558 wfm_rho_orb, 0.0_dp, admm_env%work_aux_orb) 563 … CALL copy_fm_to_dbcsr(wfm_rho_orb, work_rho_ia_ao(ispin)%matrix, keep_sparsity=.TRUE.) 575 admm_env%work_aux_orb, 0.0_dp, wfm_rho_orb) 577 CALL cp_gemm('N', 'N', nao, nactive(ispin), nao, alpha, wfm_rho_orb, &
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H A D | qs_tddfpt2_methods.F | 206 wfm_rho_orb=work_matrices%rho_ao_orb_fm_sub) 218 wfm_rho_orb=work_matrices%rho_ao_orb_fm_sub, &
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H A D | qs_tddfpt2_fhxc.F | 162 wfm_rho_orb=work_matrices%rho_ao_orb_fm_sub, &
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H A D | qs_tddfpt2_eigensolver.F | 395 … work_hmat=work_matrices%hfx_hmat, wfm_rho_orb=work_matrices%hfx_fm_ao_ao)
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | qs_tddfpt2_methods.F | 1987 TYPE(cp_fm_type), POINTER :: wfm_rho_orb local 2007 0.0_dp, wfm_rho_orb) 2072 CALL copy_dbcsr_to_fm(rho_ao_orb(ispin)%matrix, wfm_rho_orb) 2074 wfm_rho_orb, 0.0_dp, wfm_aux_orb) 2111 work_rho_ia_ao, work_hmat, wfm_rho_orb) argument 2118 TYPE(cp_fm_type), POINTER :: wfm_rho_orb local 2155 evects(ispin, ivect)%matrix, 0.0_dp, wfm_rho_orb) 2157 gs_mos(ispin)%mos_occ, 1.0_dp, wfm_rho_orb) 2162 wfm_rho_orb, 0.0_dp, admm_env%work_aux_orb) 2179 admm_env%work_aux_orb, 0.0_dp, wfm_rho_orb) [all …]
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