Searched defs:pao_calc_U_block_fock (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | pao_param_fock.F | 40 SUBROUTINE pao_calc_U_block_fock(pao, iatom, V, U, penalty, gap, evals, M1, G) subroutine
49 CHARACTER(len=*), PARAMETER :: routineN = 'pao_calc_U_block_fock', & argument
50 routineP = moduleN//':'//routineN
52 INTEGER :: handle, i, j, m, n
53 INTEGER, DIMENSION(:), POINTER :: blk_sizes_pao, blk_sizes_pri
54 LOGICAL :: found
55 REAL(dp) :: alpha, beta, denom, diff
56 REAL(dp), DIMENSION(:), POINTER :: H_evals
57 … REAL(dp), DIMENSION(:, :), POINTER :: block_N, D1, D2, H, H0, H_evecs, M2, M3, &
58 M4, M5
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | pao_param_fock.F | 40 SUBROUTINE pao_calc_U_block_fock(pao, iatom, V, U, penalty, gap, evals, M1, G) subroutine
49 CHARACTER(len=*), PARAMETER :: routineN = 'pao_calc_U_block_fock', & argument
50 routineP = moduleN//':'//routineN
52 INTEGER :: handle, i, j, m, n
53 INTEGER, DIMENSION(:), POINTER :: blk_sizes_pao, blk_sizes_pri
54 LOGICAL :: found
55 REAL(dp) :: alpha, beta, denom, diff
56 REAL(dp), DIMENSION(:), POINTER :: H_evals
57 … REAL(dp), DIMENSION(:, :), POINTER :: block_N, D1, D2, H, H0, H_evecs, M2, M3, &
58 M4, M5
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