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 |
|
|