Searched refs:matrix_trafo (Results 1 – 4 of 4) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | dm_ls_scf_qs.F | 227 TYPE(dbcsr_type), POINTER :: matrix_trafo local
242 matrix_trafo => ls_mstruct%matrix_A ! contra-variant
243 IF (covariant) matrix_trafo => ls_mstruct%matrix_B ! co-variant
244 CALL dbcsr_create(matrix_tmp, template=matrix_trafo)
246 CALL dbcsr_multiply("N", "N", 1.0_dp, matrix_qs, matrix_trafo, 0.0_dp, matrix_tmp)
247 CALL dbcsr_multiply("T", "N", 1.0_dp, matrix_trafo, matrix_tmp, 0.0_dp, matrix_pao)
331 TYPE(dbcsr_type), POINTER :: matrix_trafo local
358 matrix_trafo => ls_mstruct%matrix_B ! contra-variant
359 IF (covariant) matrix_trafo => ls_mstruct%matrix_A ! co-variant
360 CALL dbcsr_create(matrix_tmp1, template=matrix_trafo)
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| H A D | dm_ls_scf_curvy.F | 732 SUBROUTINE transform_matrix_orth(matrix, matrix_trafo, eps_filter) argument
734 TYPE(dbcsr_type) :: matrix_trafo local
749 CALL dbcsr_multiply("N", "N", 1.0_dp, matrix(ispin), matrix_trafo, &
751 CALL dbcsr_multiply("N", "N", 1.0_dp, matrix_trafo, matrix_work, &
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | dm_ls_scf_qs.F | 227 TYPE(dbcsr_type), POINTER :: matrix_trafo local
242 matrix_trafo => ls_mstruct%matrix_A ! contra-variant
243 IF (covariant) matrix_trafo => ls_mstruct%matrix_B ! co-variant
244 CALL dbcsr_create(matrix_tmp, template=matrix_trafo)
246 CALL dbcsr_multiply("N", "N", 1.0_dp, matrix_qs, matrix_trafo, 0.0_dp, matrix_tmp)
247 CALL dbcsr_multiply("T", "N", 1.0_dp, matrix_trafo, matrix_tmp, 0.0_dp, matrix_pao)
331 TYPE(dbcsr_type), POINTER :: matrix_trafo local
358 matrix_trafo => ls_mstruct%matrix_B ! contra-variant
359 IF (covariant) matrix_trafo => ls_mstruct%matrix_A ! co-variant
360 CALL dbcsr_create(matrix_tmp1, template=matrix_trafo)
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| H A D | dm_ls_scf_curvy.F | 732 SUBROUTINE transform_matrix_orth(matrix, matrix_trafo, eps_filter) argument
734 TYPE(dbcsr_type) :: matrix_trafo local
749 CALL dbcsr_multiply("N", "N", 1.0_dp, matrix(ispin), matrix_trafo, &
751 CALL dbcsr_multiply("N", "N", 1.0_dp, matrix_trafo, matrix_work, &
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