| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/smd/graveyard/smd-9-10-08/ |
| H A D | smd_ewald.F | 16 double precision ralphsq
38 call smd_ewald_compute(ralphsq,rksqmax,alpha,kmax,dbl_mb(i_rl))
61 call smd_data_put_dbl(namespace,tag,1,ralphsq)
107 double precision ralphsq,rksqmax,alpha local
118 ralphsq=-0.25/alpha**2
206 double precision rksqmax,ralphsq local
251 call smd_ewald_get_ralphsq(ralphsq)
284 > ralphsq,
575 subroutine smd_ewald_get_ralphsq(ralphsq) argument
584 double precision ralphsq local
[all …]
|
| H A D | smd_ewald_data.fh | 7 double precision alpha,ralphsq,rksqmax
9 common/cm_ewld/alpha,ralphsq,rksqmax,kmax
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/smd/graveyard/smd-serial/ |
| H A D | smd_ewald.F | 16 double precision ralphsq
38 call smd_ewald_compute(ralphsq,rksqmax,alpha,kmax,dbl_mb(i_rl))
61 call smd_data_put_dbl(namespace,tag,1,ralphsq)
107 double precision ralphsq,rksqmax,alpha local
118 ralphsq=-0.25/alpha**2
206 double precision rksqmax,ralphsq local
251 call smd_ewald_get_ralphsq(ralphsq)
284 > ralphsq,
575 subroutine smd_ewald_get_ralphsq(ralphsq) argument
584 double precision ralphsq local
[all …]
|
| H A D | smd_ewald_data.fh | 7 double precision alpha,ralphsq,rksqmax
9 common/cm_ewld/alpha,ralphsq,rksqmax,kmax
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/smd/smdlib/ |
| H A D | smd_ewald.F | 16 double precision ralphsq local
38 call smd_ewald_compute(ralphsq,rksqmax,alpha,kmax,dbl_mb(i_rl))
61 call smd_data_put_dbl(namespace,tag,1,ralphsq)
107 double precision ralphsq,rksqmax,alpha local
118 ralphsq=-0.25/alpha**2
206 double precision rksqmax,ralphsq local
251 call smd_ewald_get_ralphsq(ralphsq)
284 > ralphsq,
575 subroutine smd_ewald_get_ralphsq(ralphsq) argument
584 double precision ralphsq local
[all …]
|
| H A D | smd_ewald_data.fh | 7 double precision alpha,ralphsq,rksqmax
9 common/cm_ewld/alpha,ralphsq,rksqmax,kmax
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/smd/smdlib/ |
| H A D | smd_ewald.F | 16 double precision ralphsq
38 call smd_ewald_compute(ralphsq,rksqmax,alpha,kmax,dbl_mb(i_rl))
61 call smd_data_put_dbl(namespace,tag,1,ralphsq)
107 double precision ralphsq,rksqmax,alpha local
118 ralphsq=-0.25/alpha**2
206 double precision rksqmax,ralphsq local
251 call smd_ewald_get_ralphsq(ralphsq)
284 > ralphsq,
575 subroutine smd_ewald_get_ralphsq(ralphsq) argument
584 double precision ralphsq local
[all …]
|
| H A D | smd_ewald_data.fh | 7 double precision alpha,ralphsq,rksqmax
9 common/cm_ewld/alpha,ralphsq,rksqmax,kmax
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/smd/graveyard/smd-9-10-08/ |
| H A D | smd_ewald.F | 16 double precision ralphsq
38 call smd_ewald_compute(ralphsq,rksqmax,alpha,kmax,dbl_mb(i_rl))
61 call smd_data_put_dbl(namespace,tag,1,ralphsq)
107 double precision ralphsq,rksqmax,alpha local
118 ralphsq=-0.25/alpha**2
206 double precision rksqmax,ralphsq local
251 call smd_ewald_get_ralphsq(ralphsq)
284 > ralphsq,
575 subroutine smd_ewald_get_ralphsq(ralphsq) argument
584 double precision ralphsq local
[all …]
|
| H A D | smd_ewald_data.fh | 7 double precision alpha,ralphsq,rksqmax
9 common/cm_ewld/alpha,ralphsq,rksqmax,kmax
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/smd/graveyard/smd-serial/ |
| H A D | smd_ewald.F | 16 double precision ralphsq
38 call smd_ewald_compute(ralphsq,rksqmax,alpha,kmax,dbl_mb(i_rl))
61 call smd_data_put_dbl(namespace,tag,1,ralphsq)
107 double precision ralphsq,rksqmax,alpha local
118 ralphsq=-0.25/alpha**2
206 double precision rksqmax,ralphsq local
251 call smd_ewald_get_ralphsq(ralphsq)
284 > ralphsq,
575 subroutine smd_ewald_get_ralphsq(ralphsq) argument
584 double precision ralphsq local
[all …]
|
| H A D | smd_ewald_data.fh | 7 double precision alpha,ralphsq,rksqmax
9 common/cm_ewld/alpha,ralphsq,rksqmax,kmax
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/smd/graveyard/smd-subgroups/ |
| H A D | smd_ewald_data.F | 17 aralphsq = ralphsq
60 ralphsq = aralphsq
96 write(un,*) "ralphsq",ralphsq
|
| H A D | smd_ewald.F | 17 double precision ralphsq
40 call smd_ewald_compute(ralphsq,rksqmax,alpha,kmax,dbl_mb(i_rl))
44 call smd_ewald_set_ralphsq(ralphsq)
83 subroutine smd_ewald_compute(ralphsq,rksqmax,alpha,kmax,rlatt) argument
88 double precision ralphsq,rksqmax,alpha local
99 ralphsq=-0.25/alpha**2
198 double precision rksqmax,ralphsq local
272 call smd_ewald_get_ralphsq(ralphsq)
305 > ralphsq,
|
| H A D | smd_ewald_data.fh | 7 double precision alpha,ralphsq,rksqmax
9 common/cm_ewld/alpha,ralphsq,rksqmax,kmax
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/smd/graveyard/smd-new/ |
| H A D | smd_ewald_data.F | 17 aralphsq = ralphsq
60 ralphsq = aralphsq
96 write(un,*) "ralphsq",ralphsq
|
| H A D | smd_ewald.F | 17 double precision ralphsq
40 call smd_ewald_compute(ralphsq,rksqmax,alpha,kmax,dbl_mb(i_rl))
44 call smd_ewald_set_ralphsq(ralphsq)
83 subroutine smd_ewald_compute(ralphsq,rksqmax,alpha,kmax,rlatt) argument
88 double precision ralphsq,rksqmax,alpha local
99 ralphsq=-0.25/alpha**2
198 double precision rksqmax,ralphsq local
272 call smd_ewald_get_ralphsq(ralphsq)
305 > ralphsq,
|
| H A D | smd_ewald_data.fh | 7 double precision alpha,ralphsq,rksqmax
9 common/cm_ewld/alpha,ralphsq,rksqmax,kmax
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/smd/graveyard/smd-subgroups/ |
| H A D | smd_ewald_data.F | 17 aralphsq = ralphsq
60 ralphsq = aralphsq
96 write(un,*) "ralphsq",ralphsq
|
| H A D | smd_ewald.F | 17 double precision ralphsq
40 call smd_ewald_compute(ralphsq,rksqmax,alpha,kmax,dbl_mb(i_rl))
44 call smd_ewald_set_ralphsq(ralphsq)
83 subroutine smd_ewald_compute(ralphsq,rksqmax,alpha,kmax,rlatt) argument
88 double precision ralphsq,rksqmax,alpha local
99 ralphsq=-0.25/alpha**2
198 double precision rksqmax,ralphsq local
272 call smd_ewald_get_ralphsq(ralphsq)
305 > ralphsq,
|
| H A D | smd_ewald_data.fh | 7 double precision alpha,ralphsq,rksqmax
9 common/cm_ewld/alpha,ralphsq,rksqmax,kmax
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/smd/graveyard/smd-new/ |
| H A D | smd_ewald_data.F | 17 aralphsq = ralphsq
60 ralphsq = aralphsq
96 write(un,*) "ralphsq",ralphsq
|
| H A D | smd_ewald.F | 17 double precision ralphsq
40 call smd_ewald_compute(ralphsq,rksqmax,alpha,kmax,dbl_mb(i_rl))
44 call smd_ewald_set_ralphsq(ralphsq)
83 subroutine smd_ewald_compute(ralphsq,rksqmax,alpha,kmax,rlatt) argument
88 double precision ralphsq,rksqmax,alpha local
99 ralphsq=-0.25/alpha**2
198 double precision rksqmax,ralphsq local
272 call smd_ewald_get_ralphsq(ralphsq)
305 > ralphsq,
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/smd/graveyard/smd-original/ |
| H A D | cm_ewld.inc | 3 real*8 alpha,ralphsq,rksqmax
5 common/cm_ewld/alpha,ralphsq,rksqmax,kmaxx,kmaxy,kmaxz
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/smd/graveyard/smd-original/ |
| H A D | cm_ewld.inc | 3 real*8 alpha,ralphsq,rksqmax
5 common/cm_ewld/alpha,ralphsq,rksqmax,kmaxx,kmaxy,kmaxz
|