Searched refs:rho_redist (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | xas_tdp_atom.F | 883 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: overlap, rho_ao, rho_redist local
899 NULLIFY (blacs_env, pmat_block, ab_list, opt_dist2d, rho_redist, sinv_block, sinv_blockt)
1008 ALLOCATE (rho_redist(nspins))
1010 ALLOCATE (rho_redist(ispin)%matrix)
1011 … CALL dbcsr_create(rho_redist(ispin)%matrix, template=rho_ao(ispin)%matrix, dist=opt_dbcsr_dist)
1012 CALL dbcsr_complete_redistribute(rho_ao(ispin)%matrix, rho_redist(ispin)%matrix)
1055 … CALL dbcsr_get_block_p(rho_redist(ispin)%matrix, iatom, jatom, pmat_block, pmat_found)
1056 … CALL dbcsr_get_block_p(rho_redist(ispin)%matrix, jatom, iatom, pmat_blockt, pmat_foundt)
1117 CALL dbcsr_deallocate_matrix_set(rho_redist)
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | xas_tdp_atom.F | 874 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: overlap, rho_ao, rho_redist local
889 NULLIFY (blacs_env, pblock, pblockt, ab_list, opt_dist2d, rho_redist)
1009 ALLOCATE (rho_redist(nspins))
1011 ALLOCATE (rho_redist(ispin)%matrix)
1012 … CALL dbcsr_create(rho_redist(ispin)%matrix, template=rho_ao(ispin)%matrix, dist=opt_dbcsr_dist)
1013 CALL dbcsr_complete_redistribute(rho_ao(ispin)%matrix, rho_redist(ispin)%matrix)
1020 CALL contract12_o3c(o3c, rho_redist)
1113 CALL dbcsr_deallocate_matrix_set(rho_redist)
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