Searched refs:work_v_rspace (Results 1 – 5 of 5) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_ks_utils.F | 170 TYPE(pw_p_type) :: work_v_rspace local
280 CALL pw_pool_create_pw(auxbas_pw_pool, work_v_rspace%pw, &
331 work_v_rspace%pw%cr3d = (energy_scaling(iterm)*vxc(ispin)%pw%pw_grid%dvol)* &
365 CALL pw_pool_give_back_pw(auxbas_pw_pool, work_v_rspace%pw)
417 work_v_gspace, work_v_rspace local
552 CALL pw_pool_create_pw(auxbas_pw_pool, work_v_rspace%pw, &
625 CALL pw_transfer(work_v_gspace%pw, work_v_rspace%pw)
626 … CALL pw_scale(work_v_rspace%pw, -dft_control%sic_scaling_a*work_v_rspace%pw%pw_grid%dvol)
639 work_v_rspace%pw%cr3d = work_v_rspace%pw%cr3d- &
646 … CALL integrate_v_rspace(v_rspace=work_v_rspace, pmat=orb_density_matrix_p, hmat=orb_h_p, &
[all …]
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| H A D | qs_tddfpt2_methods.F | 1826 SUBROUTINE tddfpt_apply_coulomb(A_ia_rspace, rho_ia_g, pw_env, work_v_gspace, work_v_rspace) argument
1830 TYPE(pw_p_type), INTENT(inout) :: work_v_gspace, work_v_rspace local
1853 CALL pw_transfer(work_v_gspace%pw, work_v_rspace%pw)
1859 CALL pw_axpy(work_v_rspace%pw, A_ia_rspace(ispin)%pw, alpha)
2357 work_v_rspace=work_matrices%wpw_rspace_sub(1))
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_ks_utils.F | 172 TYPE(pw_p_type) :: work_v_rspace local
282 CALL pw_pool_create_pw(auxbas_pw_pool, work_v_rspace%pw, &
333 work_v_rspace%pw%cr3d = (energy_scaling(iterm)*vxc(ispin)%pw%pw_grid%dvol)* &
367 CALL pw_pool_give_back_pw(auxbas_pw_pool, work_v_rspace%pw)
419 work_v_gspace, work_v_rspace local
554 CALL pw_pool_create_pw(auxbas_pw_pool, work_v_rspace%pw, &
627 CALL pw_transfer(work_v_gspace%pw, work_v_rspace%pw)
628 … CALL pw_scale(work_v_rspace%pw, -dft_control%sic_scaling_a*work_v_rspace%pw%pw_grid%dvol)
641 work_v_rspace%pw%cr3d = work_v_rspace%pw%cr3d- &
648 … CALL integrate_v_rspace(v_rspace=work_v_rspace, pmat=orb_density_matrix_p, hmat=orb_h_p, &
[all …]
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| H A D | qs_tddfpt2_operators.F | 152 SUBROUTINE tddfpt_apply_coulomb(A_ia_rspace, rho_ia_g, pw_env, work_v_gspace, work_v_rspace) argument
156 TYPE(pw_p_type), INTENT(inout) :: work_v_gspace, work_v_rspace local
179 CALL pw_transfer(work_v_gspace%pw, work_v_rspace%pw)
185 CALL pw_axpy(work_v_rspace%pw, A_ia_rspace(ispin)%pw, alpha)
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| H A D | qs_tddfpt2_fhxc.F | 186 work_v_rspace=work_matrices%wpw_rspace_sub(1))
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