| 23 |
|
usePBC = 0; |
| 24 |
|
useLJ = 0; |
| 25 |
|
useSticky = 0; |
| 26 |
< |
useuseDipole = 0; |
| 26 |
> |
useDipole = 0; |
| 27 |
|
useReactionField = 0; |
| 28 |
|
useGB = 0; |
| 29 |
|
useEAM = 0; |
| 47 |
|
fInfo.SIM_uses_PBC = usePBC; |
| 48 |
|
fInfo.SIM_uses_LJ = useLJ; |
| 49 |
|
fInfo.SIM_uses_sticky = useSticky; |
| 50 |
< |
fInfo.SIM_uses_dipole = useDipole; |
| 50 |
> |
fInfo.SIM_uses_dipoles = useDipole; |
| 51 |
|
fInfo.SIM_uses_RF = useReactionField; |
| 52 |
|
fInfo.SIM_uses_GB = useGB; |
| 53 |
|
fInfo.SIM_uses_EAM = useEAM; |
| 57 |
|
setFsimulation( &fInfo, |
| 58 |
|
&n_atoms, |
| 59 |
|
identArray, |
| 60 |
< |
&n_excludes, |
| 60 |
> |
&n_exclude, |
| 61 |
|
excludes, |
| 62 |
|
&nGlobalExcludes, |
| 63 |
|
globalExcludes, |