62 |
|
createRestFile_ = false; |
63 |
|
|
64 |
|
#ifdef IS_MPI |
65 |
< |
MPI_Status* istatus; |
65 |
> |
MPI_Status* istatus = NULL; |
66 |
|
#endif |
67 |
|
|
68 |
|
int printAny = 0; |
195 |
|
void RestWriter::writeRest(std::vector<std::map<int, Restraint::RealPair> > restInfo) { |
196 |
|
|
197 |
|
#ifdef IS_MPI |
198 |
< |
MPI_Status* istatus; |
198 |
> |
MPI_Status* istatus = NULL; |
199 |
|
#endif |
200 |
|
|
201 |
|
#ifndef IS_MPI |
202 |
< |
if (createRestFile_) (*output_) << info_->getSnapshotManager()->getCurrentSnapshot()->getTime(); |
202 |
> |
if (createRestFile_) (*output_) << info_->getSnapshotManager()->getCurrentSnapshot()->getTime(); |
203 |
|
|
204 |
|
// output some information about the molecules |
205 |
|
std::vector<std::map<int, Restraint::RealPair> >::const_iterator i; |