Searched defs:debug_ewald_multipoles_fields (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | ewalds_multipole.F | 1922 CHARACTER(len=*), PARAMETER :: routineN = 'debug_ewald_multipoles_fields', & argument
1923 routineP = moduleN//':'//routineN
1925 INTEGER :: i, iparticle_kind, j, k, & local
1926 nparticle_local, nparticles
1927 REAL(KIND=dp) :: coord(3), dq, e_neut, e_self, efield1n(3), efield2n(3, 3), ene(2), &
1928 … energy_glob, energy_local, enev(3, 2), o_tot_ene, pot, pv_glob(3, 3), pv_local(3, 3), &
1929 tot_ene
1930 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: efield1, efield2, forces_glob, &
1932 REAL(KIND=dp), DIMENSION(:), POINTER :: efield0, lcharges
1933 TYPE(cp_logger_type), POINTER :: logger
[all …]
|
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | ewalds_multipole.F | 1926 CHARACTER(len=*), PARAMETER :: routineN = 'debug_ewald_multipoles_fields', & argument
1927 routineP = moduleN//':'//routineN
1929 INTEGER :: i, iparticle_kind, j, k, & local
1930 nparticle_local, nparticles
1931 REAL(KIND=dp) :: coord(3), dq, e_neut, e_self, efield1n(3), efield2n(3, 3), ene(2), &
1932 energy_glob, energy_local, enev(3, 2), o_tot_ene, pot, pv_glob(3, 3), pv_local(3, 3), &
1933 tot_ene
1934 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: efield1, efield2, forces_glob, &
1936 REAL(KIND=dp), DIMENSION(:), POINTER :: efield0, lcharges
1937 TYPE(cp_logger_type), POINTER :: logger
[all …]
|