| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/smd/graveyard/smd-9-10-08/ |
| H A D | ewald_self.f | 5 SUBROUTINE ewald_self(ewald1) subroutine
14 integer i,iatm
16 real*8 ewald1
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/smd/graveyard/smd-original/ |
| H A D | ewald_self.f | 1 SUBROUTINE ewald_self(ewald1) subroutine
10 integer i,iatm
12 real*8 ewald1
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/smd/graveyard/smd-serial/ |
| H A D | ewald_self.f | 5 SUBROUTINE ewald_self(ewald1) subroutine
14 integer i,iatm
16 real*8 ewald1
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/smd/graveyard/smd-subgroups/ |
| H A D | ewald_self.f | 5 SUBROUTINE ewald_self(ewald1) subroutine
14 integer i,iatm
16 real*8 ewald1
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/smd/graveyard/smd-subgroups/ |
| H A D | ewald_self.f | 5 SUBROUTINE ewald_self(ewald1) subroutine
14 integer i,iatm
16 real*8 ewald1
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/smd/graveyard/smd-9-10-08/ |
| H A D | ewald_self.f | 5 SUBROUTINE ewald_self(ewald1) subroutine
14 integer i,iatm
16 real*8 ewald1
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/smd/graveyard/smd-serial/ |
| H A D | ewald_self.f | 5 SUBROUTINE ewald_self(ewald1) subroutine
14 integer i,iatm
16 real*8 ewald1
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/smd/graveyard/smd-original/ |
| H A D | ewald_self.f | 1 SUBROUTINE ewald_self(ewald1) subroutine
10 integer i,iatm
12 real*8 ewald1
|
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | ewalds.F | 300 SUBROUTINE ewald_self(ewald_env, cell, atomic_kind_set, local_particles, e_self, & subroutine
310 CHARACTER(LEN=*), PARAMETER :: routineN = 'ewald_self', routineP = moduleN//':'//routineN argument
312 INTEGER :: ewald_type, group, iparticle_kind, &
313 nparticle_kind, nparticle_local
314 LOGICAL :: is_shell
315 REAL(KIND=dp) :: alpha, mm_radius, q, q_neutg, q_self, &
316 q_sum, qcore, qshell
317 TYPE(atomic_kind_type), POINTER :: atomic_kind
318 TYPE(shell_kind_type), POINTER :: shell
|
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | ewalds.F | 300 SUBROUTINE ewald_self(ewald_env, cell, atomic_kind_set, local_particles, e_self, & subroutine
310 CHARACTER(LEN=*), PARAMETER :: routineN = 'ewald_self', routineP = moduleN//':'//routineN argument
312 INTEGER :: ewald_type, group, iparticle_kind, &
313 nparticle_kind, nparticle_local
314 LOGICAL :: is_shell
315 REAL(KIND=dp) :: alpha, mm_radius, q, q_neutg, q_self, &
316 q_sum, qcore, qshell
317 TYPE(atomic_kind_type), POINTER :: atomic_kind
318 TYPE(shell_kind_type), POINTER :: shell
|