| 43 |
|
#define _LARGEFILE_SOURCE64 |
| 44 |
|
#define _FILE_OFFSET_BITS 64 |
| 45 |
|
|
| 46 |
+ |
#ifdef IS_MPI |
| 47 |
+ |
#include <mpi.h> |
| 48 |
+ |
#endif |
| 49 |
+ |
|
| 50 |
|
#include <sys/types.h> |
| 51 |
|
#include <sys/stat.h> |
| 52 |
|
|
| 63 |
|
#include "utils/MemoryUtils.hpp" |
| 64 |
|
#include "utils/StringTokenizer.hpp" |
| 65 |
|
#include "brains/Thermo.hpp" |
| 62 |
– |
|
| 63 |
– |
#ifdef IS_MPI |
| 64 |
– |
#include <mpi.h> |
| 65 |
– |
#endif |
| 66 |
|
|
| 67 |
|
|
| 68 |
|
namespace OpenMD { |
| 520 |
|
|
| 521 |
|
} |
| 522 |
|
} |
| 523 |
– |
|
| 523 |
|
} |
| 524 |
|
|
| 525 |
|
|
| 559 |
|
if (i >> siteIndex) { |
| 560 |
|
// chew up this token and parse as an int: |
| 561 |
|
siteIndex = tokenizer.nextTokenAsInt(); |
| 562 |
< |
RigidBody* rb = static_cast<RigidBody*>(sd); |
| 563 |
< |
sd = rb->getAtoms()[siteIndex]; |
| 562 |
> |
|
| 563 |
> |
if (sd->isRigidBody()) { |
| 564 |
> |
RigidBody* rb = static_cast<RigidBody*>(sd); |
| 565 |
> |
sd = rb->getAtoms()[siteIndex]; |
| 566 |
> |
} |
| 567 |
|
} |
| 568 |
|
|
| 569 |
|
/** |
