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, |