gsex_fm (reference) in projects: dports

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Searched refs:gsex_fm (Results 1 – 2 of 2) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A D	xas_tdp_utils.F	1240 TYPE(cp_fm_type), POINTER :: gs_coeffs, gsex_fm, img_fm, mo_coeff, prod_work, real_fm, & local 1444 CALL cp_fm_create(gsex_fm, gsex_struct) 1451 … CALL cp_gemm('T', 'N', nexndo_so, ndo_so, nao, -1.0_dp, sc_coeffs, vec_soc_z, 0.0_dp, gsex_fm) 1454 CALL cp_fm_get_submatrix(fm=gsex_fm, target_m=gsex_block, start_row=(isc - 1)ndo_so + 1, & 1467 … CALL cp_gemm('T', 'N', nexndo_so, ndo_so, nao, -1.0_dp, sc_coeffs, vec_soc_x, 0.0_dp, gsex_fm) 1470 CALL cp_fm_get_submatrix(fm=gsex_fm, target_m=gsex_block, start_row=(isf - 1)ndo_so + 1, & 1478 … CALL cp_gemm('T', 'N', nexndo_so, ndo_so, nao, -1.0_dp, sc_coeffs, vec_soc_y, 0.0_dp, gsex_fm) 1481 CALL cp_fm_get_submatrix(fm=gsex_fm, target_m=gsex_block, start_row=(isf - 1)ndo_so + 1, & 1490 CALL cp_fm_release(gsex_fm) 2189 CALL cp_fm_create(gsex_fm, gsex_struct) [all …]
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A D	xas_tdp_utils.F	2257 TYPE(cp_fm_type), POINTER :: gs_coeffs, gsex_fm, img_fm, mo_coeff, prod_work, real_fm, & local 2461 CALL cp_fm_create(gsex_fm, gsex_struct) 2468 … CALL cp_gemm('T', 'N', nexndo_so, ndo_so, nao, -1.0_dp, sc_coeffs, vec_soc_z, 0.0_dp, gsex_fm) 2471 CALL cp_fm_get_submatrix(fm=gsex_fm, target_m=gsex_block, start_row=(isc - 1)ndo_so + 1, & 2484 … CALL cp_gemm('T', 'N', nexndo_so, ndo_so, nao, -1.0_dp, sc_coeffs, vec_soc_x, 0.0_dp, gsex_fm) 2487 CALL cp_fm_get_submatrix(fm=gsex_fm, target_m=gsex_block, start_row=(isf - 1)ndo_so + 1, & 2495 … CALL cp_gemm('T', 'N', nexndo_so, ndo_so, nao, -1.0_dp, sc_coeffs, vec_soc_y, 0.0_dp, gsex_fm) 2498 CALL cp_fm_get_submatrix(fm=gsex_fm, target_m=gsex_block, start_row=(isf - 1)ndo_so + 1, & 2507 CALL cp_fm_release(gsex_fm) 3206 CALL cp_fm_create(gsex_fm, gsex_struct) [all …]