| 52 |
|
|
| 53 |
|
fInfo.SIM_uses_PBC = usePBC; |
| 54 |
|
fInfo.SIM_uses_LJ = useLJ; |
| 55 |
+ |
|
| 56 |
|
//fInfo.SIM_uses_sticky = useSticky; |
| 57 |
|
fInfo.SIM_uses_sticky = 0; |
| 58 |
|
fInfo.SIM_uses_dipoles = useDipole; |
| 65 |
|
|
| 66 |
|
isError = 0; |
| 67 |
|
|
| 68 |
< |
fInfo; |
| 69 |
< |
n_atoms; |
| 70 |
< |
identArray; |
| 71 |
< |
n_exclude; |
| 72 |
< |
excludes; |
| 73 |
< |
nGlobalExcludes; |
| 74 |
< |
globalExcludes; |
| 75 |
< |
isError; |
| 68 |
> |
// fInfo; |
| 69 |
> |
// n_atoms; |
| 70 |
> |
// identArray; |
| 71 |
> |
// n_exclude; |
| 72 |
> |
// excludes; |
| 73 |
> |
// nGlobalExcludes; |
| 74 |
> |
// globalExcludes; |
| 75 |
> |
// isError; |
| 76 |
|
|
| 77 |
|
setFsimulation( &fInfo, &n_atoms, identArray, &n_exclude, excl, |
| 78 |
|
&nGlobalExcludes, globalExcludes, &isError ); |