669 |
|
|
670 |
|
int SimCreator::computeStorageLayout(SimInfo* info) { |
671 |
|
|
672 |
+ |
Globals* simParams = info->getSimParams(); |
673 |
|
int nRigidBodies = info->getNGlobalRigidBodies(); |
674 |
|
set<AtomType*> atomTypes = info->getSimulatedAtomTypes(); |
675 |
|
set<AtomType*>::iterator i; |
745 |
|
if (storageLayout & DataStorage::dslForce) { |
746 |
|
storageLayout |= DataStorage::dslFlucQForce; |
747 |
|
} |
748 |
+ |
} |
749 |
+ |
|
750 |
+ |
if (simParams->getOutputParticlePotential()) { |
751 |
+ |
storageLayout |= DataStorage::dslParticlePot; |
752 |
|
} |
753 |
+ |
|
754 |
|
return storageLayout; |
755 |
|
} |
756 |
|
|