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Searched refs:wfm_rho_orb (Results 1 – 6 of 6) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_tddfpt2_densities.F55 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)
H A Dqs_tddfpt2_operators.F507 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, &
H A Dqs_tddfpt2_methods.F206 wfm_rho_orb=work_matrices%rho_ao_orb_fm_sub)
218 wfm_rho_orb=work_matrices%rho_ao_orb_fm_sub, &
H A Dqs_tddfpt2_fhxc.F162 wfm_rho_orb=work_matrices%rho_ao_orb_fm_sub, &
H A Dqs_tddfpt2_eigensolver.F395 … work_hmat=work_matrices%hfx_hmat, wfm_rho_orb=work_matrices%hfx_fm_ao_ao)
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_tddfpt2_methods.F1987 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)
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