Searched defs:polar_response (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_linres_polar_utils.F | 375 SUBROUTINE polar_response(p_env, qs_env) subroutine
380 CHARACTER(LEN=*), PARAMETER :: routineN = 'polar_response', routineP = moduleN//':'//routineN argument
382 INTEGER :: handle, idir, iounit, ispin, nao, nmo, &
383 nspins
384 LOGICAL :: do_periodic, do_raman, should_stop
385 TYPE(cp_fm_p_type), DIMENSION(:), POINTER :: h1_psi0, psi0_order, psi1, psi1_ptr
386 TYPE(cp_fm_p_type), DIMENSION(:, :), POINTER :: dBerry_psi0, psi1_dBerry
389 TYPE(cp_logger_type), POINTER :: logger
393 TYPE(mo_set_p_type), DIMENSION(:), POINTER :: mos
395 TYPE(qs_matrix_pools_type), POINTER :: mpools
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_linres_polar_utils.F | 375 SUBROUTINE polar_response(p_env, qs_env) subroutine
380 CHARACTER(LEN=*), PARAMETER :: routineN = 'polar_response', routineP = moduleN//':'//routineN argument
382 INTEGER :: handle, idir, iounit, ispin, nao, nmo, &
383 nspins
384 LOGICAL :: do_periodic, do_raman, should_stop
385 TYPE(cp_fm_p_type), DIMENSION(:), POINTER :: h1_psi0, psi0_order, psi1, psi1_ptr
386 TYPE(cp_fm_p_type), DIMENSION(:, :), POINTER :: dBerry_psi0, psi1_dBerry
389 TYPE(cp_logger_type), POINTER :: logger
393 TYPE(mo_set_p_type), DIMENSION(:), POINTER :: mos
395 TYPE(qs_matrix_pools_type), POINTER :: mpools
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