Searched defs:ewald_self_atom (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | ewalds.F | 386 SUBROUTINE ewald_self_atom(ewald_env, atomic_kind_set, local_particles, e_self, & subroutine
395 CHARACTER(LEN=*), PARAMETER :: routineN = 'ewald_self_atom', & argument
396 routineP = moduleN//':'//routineN
398 INTEGER :: ewald_type, ii, iparticle_kind, &
399 iparticle_local, nparticle_kind, &
400 nparticle_local
401 LOGICAL :: is_shell
402 REAL(KIND=dp) :: alpha, fself, q, qcore, qshell
403 TYPE(atomic_kind_type), POINTER :: atomic_kind
404 TYPE(shell_kind_type), POINTER :: shell
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | ewalds.F | 386 SUBROUTINE ewald_self_atom(ewald_env, atomic_kind_set, local_particles, e_self, & subroutine
395 CHARACTER(LEN=*), PARAMETER :: routineN = 'ewald_self_atom', & argument
396 routineP = moduleN//':'//routineN
398 INTEGER :: ewald_type, ii, iparticle_kind, &
399 iparticle_local, nparticle_kind, &
400 nparticle_local
401 LOGICAL :: is_shell
402 REAL(KIND=dp) :: alpha, fself, q, qcore, qshell
403 TYPE(atomic_kind_type), POINTER :: atomic_kind
404 TYPE(shell_kind_type), POINTER :: shell
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