Searched defs:setup_xas_tdp_prob (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | xas_tdp_utils.F | 160 CHARACTER(len=*), PARAMETER :: routineN = 'setup_xas_tdp_prob', & argument
161 routineP = moduleN//':'//routineN
163 INTEGER :: handle
165 LOGICAL :: do_coul, do_hfx, do_os, do_sc, do_sf, &
166 do_sg, do_tda, do_tp, do_xc
167 REAL(dp) :: eps_filter, sx
169 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: ex_ker, xc_ker
170 … TYPE(dbcsr_type) :: matrix_a, matrix_a_sf, matrix_b, proj_Q, &
171 proj_Q_sf, work
172 TYPE(dbcsr_type), POINTER :: matrix_c_sc, matrix_c_sf, matrix_c_sg, matrix_c_tp, matrix_d, &
[all …]
|
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | xas_tdp_utils.F | 217 CHARACTER(len=*), PARAMETER :: routineN = 'setup_xas_tdp_prob', & argument
218 routineP = moduleN//':'//routineN
220 INTEGER :: handle
222 LOGICAL :: do_coul, do_hfx, do_os, do_sc, do_sf, &
223 do_sg, do_tda, do_tp, do_xc
224 REAL(dp) :: eps_filter, sx
226 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: ex_ker, xc_ker
227 … TYPE(dbcsr_type) :: matrix_a, matrix_a_sf, matrix_b, proj_Q, &
228 proj_Q_sf, work
229 TYPE(dbcsr_type), POINTER :: matrix_c_sc, matrix_c_sf, matrix_c_sg, matrix_c_tp, matrix_d, &
[all …]
|