Searched refs:opt_dbcsr_dist (Results 1 – 5 of 5) sorted by relevance
/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | xas_tdp_kernel.F | 690 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 …]
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H A D | xas_tdp_atom.F | 873 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)
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | xas_tdp_kernel.F | 687 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)
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H A D | xas_tdp_integrals.F | 1069 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)
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H A D | xas_tdp_atom.F | 882 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)
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