Searched refs:sg_coeffs (Results 1 – 6 of 6) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | xas_tdp_types.F | 244 TYPE(cp_fm_type), POINTER :: sg_coeffs component
804 NULLIFY (donor_state%sg_coeffs)
878 IF (ASSOCIATED(donor_state_set(i)%sg_coeffs)) THEN
879 CALL cp_fm_release(donor_state_set(i)%sg_coeffs)
1020 IF (ASSOCIATED(donor_state%sg_coeffs)) THEN
1021 CALL cp_fm_release(donor_state%sg_coeffs)
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| H A D | xas_tdp_utils.F | 696 donor_state%sg_coeffs => lr_coeffs
2690 real_fm, sg_coeffs, tmp_fm, tp_coeffs, & local
2701 NULLIFY (sg_coeffs, tp_coeffs, gs_coeffs, sg_evals, tp_evals, real_fm, img_fm, full_struct)
2713 sg_coeffs => donor_state%sg_coeffs
2794 CALL copy_fm_to_dbcsr(sg_coeffs, dbcsr_sg)
3333 prod_fm, sg_coeffs, sggs_fm, tmp_fm, & local
3342 NULLIFY (gs_coeffs, sg_coeffs, tmp_fm, matrix_s, full_struct, prod_fm, prod_struct, work_fm)
3349 sg_coeffs => donor_state%sg_coeffs
3432 CALL cp_gemm('T', 'N', ndo_mo*nsg, ndo_mo, nao, 1.0_dp, sg_coeffs, vec_op, 0.0_dp, sggs_fm)
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| H A D | xas_tdp_methods.F | 1931 lr_coeffs => donor_state%sg_coeffs
2046 lr_coeffs => donor_state%sg_coeffs
2382 lr_coeffs => donor_state%sg_coeffs
2836 lr_coeffs => donor_state%sg_coeffs
2988 donor_state%sg_coeffs => lr_coeffs
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | xas_tdp_types.F | 245 TYPE(cp_fm_type), POINTER :: sg_coeffs component
817 NULLIFY (donor_state%sg_coeffs)
891 IF (ASSOCIATED(donor_state_set(i)%sg_coeffs)) THEN
892 CALL cp_fm_release(donor_state_set(i)%sg_coeffs)
1033 IF (ASSOCIATED(donor_state%sg_coeffs)) THEN
1034 CALL cp_fm_release(donor_state%sg_coeffs)
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| H A D | xas_tdp_utils.F | 639 donor_state%sg_coeffs => lr_coeffs
1673 real_fm, sg_coeffs, tmp_fm, tp_coeffs, & local
1684 NULLIFY (sg_coeffs, tp_coeffs, gs_coeffs, sg_evals, tp_evals, real_fm, img_fm, full_struct)
1696 sg_coeffs => donor_state%sg_coeffs
1777 CALL copy_fm_to_dbcsr(sg_coeffs, dbcsr_sg)
2316 prod_fm, sg_coeffs, sggs_fm, tmp_fm, & local
2325 NULLIFY (gs_coeffs, sg_coeffs, tmp_fm, matrix_s, full_struct, prod_fm, prod_struct, work_fm)
2332 sg_coeffs => donor_state%sg_coeffs
2415 CALL cp_gemm('T', 'N', ndo_mo*nsg, ndo_mo, nao, 1.0_dp, sg_coeffs, vec_op, 0.0_dp, sggs_fm)
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| H A D | xas_tdp_methods.F | 1927 lr_coeffs => donor_state%sg_coeffs
2042 lr_coeffs => donor_state%sg_coeffs
2378 lr_coeffs => donor_state%sg_coeffs
2832 lr_coeffs => donor_state%sg_coeffs
2984 donor_state%sg_coeffs => lr_coeffs
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