459 |
|
//Most of the compilers will organize the memory of vector continuously |
460 |
|
setFsimulation( &fInfo, &n_global, &n_atoms, identArray, &n_exclude, excl, |
461 |
|
&nGlobalExcludes, globalExcludes, molMembershipArray, |
462 |
< |
&mfact[0], &ngroup, &FglobalGroupMembership[0], &isError); |
463 |
< |
|
462 |
> |
&mfact[0], &ngroup, &FglobalGroupMembership[0], &isError); |
463 |
> |
|
464 |
|
if( isError ){ |
465 |
|
|
466 |
|
sprintf( painCave.errMsg, |
596 |
|
#endif |
597 |
|
for (int i = 0; i < numAtom; i++) |
598 |
|
FglobalGroupMembership.push_back(globalGroupMembership[i] + 1); |
599 |
+ |
|
600 |
|
|
601 |
|
myMols = info->molecules; |
602 |
|
numMol = info->n_mol; |