orb_soc_y (reference) in projects: dports

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

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A D	xas_tdp_utils.F	1248 orb_soc_x, orb_soc_y, orb_soc_z local 1251 NULLIFY (gs_coeffs, sc_coeffs, sf_coeffs, matrix_s, orb_soc_x, orb_soc_y, orb_soc_z, mos) 1274 orb_soc_y => xas_tdp_env%orb_soc(2)%matrix 1424 CALL cp_dbcsr_sm_fm_multiply(orb_soc_y, gs_coeffs, vec_soc_y, ncol=ndo_so) 1571 …CALL dbcsr_multiply('N', 'N', 1.0_dp, orb_soc_y, dbcsr_sf, 0.0_dp, dbcsr_work, filter_eps=eps_filt… 1682 orb_soc_x, orb_soc_y, orb_soc_z local 1685 NULLIFY (para_env, blacs_env, prod_fm, prod_struct, vec_struct, orb_soc_y, orb_soc_z) 1707 orb_soc_y => xas_tdp_env%orb_soc(2)%matrix 1804 CALL cp_dbcsr_sm_fm_multiply(orb_soc_y, gs_coeffs, vec_soc_y, ncol=ndo_mo) 1896 …CALL dbcsr_multiply('N', 'N', 1.0_dp, orb_soc_y, dbcsr_tp, 0.0_dp, dbcsr_work, filter_eps=eps_filt… [all …]
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A D	xas_tdp_utils.F	2265 orb_soc_x, orb_soc_y, orb_soc_z local 2268 NULLIFY (gs_coeffs, sc_coeffs, sf_coeffs, matrix_s, orb_soc_x, orb_soc_y, orb_soc_z, mos) 2291 orb_soc_y => xas_tdp_env%orb_soc(2)%matrix 2441 CALL cp_dbcsr_sm_fm_multiply(orb_soc_y, gs_coeffs, vec_soc_y, ncol=ndo_so) 2588 …CALL dbcsr_multiply('N', 'N', 1.0_dp, orb_soc_y, dbcsr_sf, 0.0_dp, dbcsr_work, filter_eps=eps_filt… 2699 orb_soc_x, orb_soc_y, orb_soc_z local 2702 NULLIFY (para_env, blacs_env, prod_fm, prod_struct, vec_struct, orb_soc_y, orb_soc_z) 2724 orb_soc_y => xas_tdp_env%orb_soc(2)%matrix 2821 CALL cp_dbcsr_sm_fm_multiply(orb_soc_y, gs_coeffs, vec_soc_y, ncol=ndo_mo) 2913 …CALL dbcsr_multiply('N', 'N', 1.0_dp, orb_soc_y, dbcsr_tp, 0.0_dp, dbcsr_work, filter_eps=eps_filt… [all …]