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Searched refs:opt_dbcsr_dist (Results 1 – 5 of 5) sorted by relevance

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dxas_tdp_kernel.F690 TYPE(dbcsr_distribution_type) :: opt_dbcsr_dist local
726 CALL cp_dbcsr_dist2d_to_dist(xas_tdp_env%opt_dist2d_ex, opt_dbcsr_dist)
729 CALL dbcsr_create(abIJ, template=matrix_s(1)%matrix, name="(ab|IJ)", dist=opt_dbcsr_dist)
813 CALL dbcsr_distribution_release(opt_dbcsr_dist)
942 TYPE(dbcsr_distribution_type) :: opt_dbcsr_dist local
986 CALL cp_dbcsr_dist2d_to_dist(opt_dist2d, opt_dbcsr_dist)
989 CALL dbcsr_create(aI_P, dist=opt_dbcsr_dist, matrix_type="S", name="(aI|P)", &
991 CALL dbcsr_create(work1, dist=opt_dbcsr_dist, matrix_type="N", name="WORK 1", &
994 CALL dbcsr_create(P_Ib, dist=opt_dbcsr_dist, matrix_type="S", name="(P|Ib)", &
996 CALL dbcsr_create(work2, dist=opt_dbcsr_dist, matrix_type="N", name="WORK 2", &
[all …]
H A Dxas_tdp_atom.F873 TYPE(dbcsr_distribution_type) :: opt_dbcsr_dist local
1008 CALL cp_dbcsr_dist2d_to_dist(opt_dist2d, opt_dbcsr_dist)
1012 … CALL dbcsr_create(rho_redist(ispin)%matrix, template=rho_ao(ispin)%matrix, dist=opt_dbcsr_dist)
1114 CALL dbcsr_distribution_release(opt_dbcsr_dist)
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dxas_tdp_kernel.F687 TYPE(dbcsr_distribution_type) :: opt_dbcsr_dist local
716 CALL cp_dbcsr_dist2d_to_dist(xas_tdp_env%opt_dist2d_ex, opt_dbcsr_dist)
720 CALL dbcsr_create(abIJ, template=mats_desymm, name="(ab|IJ)", dist=opt_dbcsr_dist)
799 CALL dbcsr_distribution_release(opt_dbcsr_dist)
996 TYPE(dbcsr_distribution_type) :: opt_dbcsr_dist local
1035 CALL cp_dbcsr_dist2d_to_dist(opt_dist2d, opt_dbcsr_dist)
1038 CALL dbcsr_create(aI_P, dist=opt_dbcsr_dist, matrix_type="N", name="(aI|P)", &
1041 CALL dbcsr_create(P_Ib, dist=opt_dbcsr_dist, matrix_type="N", name="(P|Ib)", &
1081 CALL dbcsr_distribution_release(opt_dbcsr_dist)
H A Dxas_tdp_integrals.F1069 TYPE(dbcsr_distribution_type) :: opt_dbcsr_dist local
1111 CALL cp_dbcsr_dist2d_to_dist(xas_tdp_env%opt_dist2d_ex, opt_dbcsr_dist)
1116 CALL create_pqX_tensor(xas_tdp_env%ri_3c_ex, ab_list, ac_list, opt_dbcsr_dist, blk_size_orb, &
1125 CALL dbcsr_distribution_release(opt_dbcsr_dist)
1155 TYPE(dbcsr_distribution_type) :: opt_dbcsr_dist local
1202 CALL cp_dbcsr_dist2d_to_dist(xas_tdp_env%opt_dist2d_coul, opt_dbcsr_dist)
1208 … CALL create_pqX_tensor(xas_tdp_env%ri_3c_coul, ab_list, ac_list, opt_dbcsr_dist, blk_size_orb, &
1216 CALL dbcsr_distribution_release(opt_dbcsr_dist)
H A Dxas_tdp_atom.F882 TYPE(dbcsr_distribution_type) :: opt_dbcsr_dist local
1007 CALL cp_dbcsr_dist2d_to_dist(opt_dist2d, opt_dbcsr_dist)
1011 … CALL dbcsr_create(rho_redist(ispin)%matrix, template=rho_ao(ispin)%matrix, dist=opt_dbcsr_dist)
1018 CALL create_pqX_tensor(pqX, ab_list, ac_list, opt_dbcsr_dist, blk_size_orb, blk_size_orb, &
1118 CALL dbcsr_distribution_release(opt_dbcsr_dist)