Searched defs:debug_ewald_multipoles (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | ewalds_multipole.F | 1308 CHARACTER(len=*), PARAMETER :: routineN = 'debug_ewald_multipoles', & argument
1312 LOGICAL, DIMENSION(3) :: task
1313 REAL(KIND=dp) :: e_neut, e_self, g_energy, &
1314 r_energy, debug_energy
1315 REAL(KIND=dp), POINTER, DIMENSION(:) :: charges
1317 DIMENSION(:, :) :: dipoles, g_forces, g_pv, &
1318 r_forces, r_pv, e_field1, &
1319 e_field2
1321 DIMENSION(:, :, :) :: quadrupoles
1324 POINTER :: multipoles
[all …]
|
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | ewalds_multipole.F | 1311 CHARACTER(len=*), PARAMETER :: routineN = 'debug_ewald_multipoles', & argument
1315 LOGICAL, DIMENSION(3) :: task
1316 REAL(KIND=dp) :: e_neut, e_self, g_energy, &
1317 r_energy, debug_energy
1318 REAL(KIND=dp), POINTER, DIMENSION(:) :: charges
1320 DIMENSION(:, :) :: dipoles, g_forces, g_pv, &
1321 r_forces, r_pv, e_field1, &
1322 e_field2
1324 DIMENSION(:, :, :) :: quadrupoles
1327 POINTER :: multipoles
[all …]
|