| 726 |
|
simError(); |
| 727 |
|
} |
| 728 |
|
if (globals->haveForceFieldVariant()) { |
| 729 |
< |
strcpy(forcefield_variant, globals->getForceFieldVariant()); |
| 729 |
> |
forcefield_variant = globals->getForceFieldVariant(); |
| 730 |
|
has_forcefield_variant = 1; |
| 731 |
|
} |
| 732 |
|
|
| 1195 |
|
info[k].finalName = prefix + ".eor"; |
| 1196 |
|
info[k].sampleName = prefix + ".dump"; |
| 1197 |
|
info[k].statusName = prefix + ".stat"; |
| 1198 |
+ |
|
| 1199 |
+ |
if (info[k].useSolidThermInt && !info[k].useLiquidThermInt) |
| 1200 |
+ |
info[k].zAngleName = prefix + ".ang"; |
| 1201 |
|
|
| 1202 |
|
#ifdef IS_MPI |
| 1203 |
|
|