770 |
|
temp = usesElectrostatic; |
771 |
|
MPI_Allreduce(&temp, &usesElectrostaticAtoms_, 1, MPI_INT, MPI_LOR, MPI_COMM_WORLD); |
772 |
|
#endif |
773 |
– |
fInfo_.SIM_uses_PBC = usesPeriodicBoundaries_; |
774 |
– |
fInfo_.SIM_uses_DirectionalAtoms = usesDirectionalAtoms_; |
775 |
– |
fInfo_.SIM_uses_MetallicAtoms = usesMetallicAtoms_; |
776 |
– |
fInfo_.SIM_requires_SkipCorrection = usesElectrostaticAtoms_; |
777 |
– |
fInfo_.SIM_requires_SelfCorrection = usesElectrostaticAtoms_; |
778 |
– |
fInfo_.SIM_uses_AtomicVirial = usesAtomicVirial_; |
773 |
|
} |
774 |
|
|
775 |
|
|