Searched defs:calculate_objfunc (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | mp2_grids.F | 693 REAL(KIND=dp), INTENT(IN) :: a_scaling
694 REAL(KIND=dp), INTENT(INOUT) :: left_term, first_deriv
695 INTEGER, INTENT(IN) :: num_integ_points
696 LOGICAL, INTENT(IN) :: my_open_shell
698 INTENT(IN) :: M_ia, cottj, wj, D_ia, D_ia_beta, &
699 M_ia_beta
700 INTEGER, INTENT(IN) :: nrow_local, nrow_local_beta, &
701 num_integ_group, color_rpa_group
702 … TYPE(cp_para_env_type), POINTER :: para_env, para_env_row, para_env_row_beta
704 INTEGER :: iiB, jquad
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | mp2_weights.F | 681 REAL(KIND=dp), INTENT(IN) :: a_scaling
682 REAL(KIND=dp), INTENT(INOUT) :: left_term, first_deriv
683 INTEGER, INTENT(IN) :: num_integ_points
684 LOGICAL, INTENT(IN) :: my_open_shell
686 INTENT(IN) :: M_ia, cottj, wj, D_ia, D_ia_beta, &
687 M_ia_beta
688 INTEGER, INTENT(IN) :: nrow_local, nrow_local_beta, &
689 num_integ_group, color_rpa_group
690 … TYPE(cp_para_env_type), POINTER :: para_env, para_env_row, para_env_row_beta
692 INTEGER :: iiB, jquad
[all …]
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