Searched defs:mixed_cdft_calculate_coupling_low (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | mixed_cdft_methods.F | 1694 SUBROUTINE mixed_cdft_calculate_coupling_low(force_env) subroutine
1697 CHARACTER(len=*), PARAMETER :: routineN = 'mixed_cdft_calculate_coupling_low', & argument
1698 routineP = moduleN//':'//routineN
1700 INTEGER :: handle, ipermutation, istate, jstate, &
1701 nforce_eval, npermutations, nvar
1702 LOGICAL :: use_lowdin, use_rotation
1703 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: coupling_lowdin, coupling_rotation, &
1704 eigenv
1705 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: tmp_mat, W_mat
1706 TYPE(mixed_cdft_type), POINTER :: mixed_cdft
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | mixed_cdft_methods.F | 1693 SUBROUTINE mixed_cdft_calculate_coupling_low(force_env) subroutine
1696 CHARACTER(len=*), PARAMETER :: routineN = 'mixed_cdft_calculate_coupling_low', & argument
1697 routineP = moduleN//':'//routineN
1699 INTEGER :: handle, ipermutation, istate, jstate, &
1700 nforce_eval, npermutations, nvar
1701 LOGICAL :: use_lowdin, use_rotation
1702 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: coupling_lowdin, coupling_rotation, &
1703 eigenv
1704 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: tmp_mat, W_mat
1705 TYPE(mixed_cdft_type), POINTER :: mixed_cdft
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