sg_matrix_tdp (reference) in projects: dports

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Searched refs:sg_matrix_tdp (Results 1 – 4 of 4) sorted by relevance

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A D	xas_tdp_types.F	`259 TYPE(dbcsr_type), POINTER :: sg_matrix_tdp component 819 NULLIFY (donor_state%sg_matrix_tdp) 948 IF (ASSOCIATED(donor_state_set(i)%sg_matrix_tdp)) THEN 949 CALL dbcsr_release(donor_state_set(i)%sg_matrix_tdp) 950 DEALLOCATE (donor_state_set(i)%sg_matrix_tdp) 1038 IF (ASSOCIATED(donor_state%sg_matrix_tdp)) THEN 1039 CALL dbcsr_release(donor_state%sg_matrix_tdp) 1040 DEALLOCATE (donor_state%sg_matrix_tdp)`
H A D	xas_tdp_utils.F	230 matrix_e_sc, sc_matrix_tdp, sf_matrix_tdp, sg_matrix_tdp, tp_matrix_tdp local 259 ALLOCATE (donor_state%sg_matrix_tdp) 260 sg_matrix_tdp => donor_state%sg_matrix_tdp 349 CALL dbcsr_copy(sg_matrix_tdp, matrix_a, name="SINGLET MATRIX TDP") 350 IF (do_coul) CALL dbcsr_add(sg_matrix_tdp, matrix_b, 1.0_dp, 2.0_dp) 414 CALL dbcsr_copy(sg_matrix_tdp, matrix_a, name="SINGLET MATRIX TDP") 418 CALL dbcsr_add(sg_matrix_tdp, matrix_d, 1.0_dp, -1.0_dpsx) 419 CALL dbcsr_add(sg_matrix_tdp, matrix_e_sc, 1.0_dp, -1.0_dpsx) 422 CALL dbcsr_add(sg_matrix_tdp, matrix_c_sg, 1.0_dp, 2.0_dp) 434 sg_matrix_tdp, filter_eps=eps_filter) [all …]
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A D	xas_tdp_types.F	`260 TYPE(dbcsr_type), POINTER :: sg_matrix_tdp component 832 NULLIFY (donor_state%sg_matrix_tdp) 961 IF (ASSOCIATED(donor_state_set(i)%sg_matrix_tdp)) THEN 962 CALL dbcsr_release(donor_state_set(i)%sg_matrix_tdp) 963 DEALLOCATE (donor_state_set(i)%sg_matrix_tdp) 1051 IF (ASSOCIATED(donor_state%sg_matrix_tdp)) THEN 1052 CALL dbcsr_release(donor_state%sg_matrix_tdp) 1053 DEALLOCATE (donor_state%sg_matrix_tdp)`
H A D	xas_tdp_utils.F	173 matrix_e_sc, sc_matrix_tdp, sf_matrix_tdp, sg_matrix_tdp, tp_matrix_tdp local 202 ALLOCATE (donor_state%sg_matrix_tdp) 203 sg_matrix_tdp => donor_state%sg_matrix_tdp 292 CALL dbcsr_copy(sg_matrix_tdp, matrix_a, name="SINGLET MATRIX TDP") 293 IF (do_coul) CALL dbcsr_add(sg_matrix_tdp, matrix_b, 1.0_dp, 2.0_dp) 357 CALL dbcsr_copy(sg_matrix_tdp, matrix_a, name="SINGLET MATRIX TDP") 361 CALL dbcsr_add(sg_matrix_tdp, matrix_d, 1.0_dp, -1.0_dpsx) 362 CALL dbcsr_add(sg_matrix_tdp, matrix_e_sc, 1.0_dp, -1.0_dpsx) 365 CALL dbcsr_add(sg_matrix_tdp, matrix_c_sg, 1.0_dp, 2.0_dp) 377 sg_matrix_tdp, filter_eps=eps_filter) [all …]