Searched refs:amew_quad (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | xas_tdp_utils.F | 2801 TYPE(cp_fm_p_type), DIMENSION(:), POINTER :: amew_quad local
2806 NULLIFY (soc_evals, amew_quad, quad_cfm)
2835 CALL get_os_amew_op(amew_quad, xas_tdp_env%quadmat, gs_coeffs, dbcsr_soc_package, &
2838 CALL get_rcs_amew_op(amew_quad, xas_tdp_env%quadmat, dbcsr_soc_package, donor_state, &
2845 CALL cp_fm_to_cfm(msourcer=amew_quad(i)%matrix, mtarget=work1_cfm)
2879 CALL cp_fm_release(amew_quad(i)%matrix)
2881 DEALLOCATE (amew_quad, transquad, trace)
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | xas_tdp_utils.F | 3818 TYPE(cp_fm_p_type), DIMENSION(:), POINTER :: amew_quad local
3823 NULLIFY (soc_evals, amew_quad, quad_cfm)
3852 CALL get_os_amew_op(amew_quad, xas_tdp_env%quadmat, gs_coeffs, dbcsr_soc_package, &
3855 CALL get_rcs_amew_op(amew_quad, xas_tdp_env%quadmat, dbcsr_soc_package, donor_state, &
3862 CALL cp_fm_to_cfm(msourcer=amew_quad(i)%matrix, mtarget=work1_cfm)
3896 CALL cp_fm_release(amew_quad(i)%matrix)
3898 DEALLOCATE (amew_quad, transquad, trace)
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