Searched refs:amew_dip (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | xas_tdp_utils.F | 2691 TYPE(cp_fm_p_type), DIMENSION(:), POINTER :: amew_dip local
2696 NULLIFY (soc_evals, amew_dip, dip_cfm)
2723 CALL get_os_amew_op(amew_dip, xas_tdp_env%dipmat, gs_coeffs, dbcsr_soc_package, &
2726 CALL get_rcs_amew_op(amew_dip, xas_tdp_env%dipmat, dbcsr_soc_package, donor_state, &
2733 CALL cp_fm_to_cfm(msourcer=amew_dip(i)%matrix, mtarget=work1_cfm)
2761 CALL cp_fm_release(amew_dip(i)%matrix)
2763 DEALLOCATE (amew_dip, transdip)
|
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | xas_tdp_utils.F | 3708 TYPE(cp_fm_p_type), DIMENSION(:), POINTER :: amew_dip local
3713 NULLIFY (soc_evals, amew_dip, dip_cfm)
3740 CALL get_os_amew_op(amew_dip, xas_tdp_env%dipmat, gs_coeffs, dbcsr_soc_package, &
3743 CALL get_rcs_amew_op(amew_dip, xas_tdp_env%dipmat, dbcsr_soc_package, donor_state, &
3750 CALL cp_fm_to_cfm(msourcer=amew_dip(i)%matrix, mtarget=work1_cfm)
3778 CALL cp_fm_release(amew_dip(i)%matrix)
3780 DEALLOCATE (amew_dip, transdip)
|