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 |
|
|
64 |
|
#include "utils/StringTokenizer.hpp" |
65 |
|
#include "brains/Thermo.hpp" |
66 |
|
|
63 |
– |
#ifdef IS_MPI |
64 |
– |
#include <mpi.h> |
65 |
– |
#endif |
67 |
|
|
67 |
– |
|
68 |
|
namespace OpenMD { |
69 |
|
|
70 |
|
DumpReader::DumpReader(SimInfo* info, const std::string& filename) |
560 |
|
if (i >> siteIndex) { |
561 |
|
// chew up this token and parse as an int: |
562 |
|
siteIndex = tokenizer.nextTokenAsInt(); |
563 |
< |
RigidBody* rb = static_cast<RigidBody*>(sd); |
564 |
< |
sd = rb->getAtoms()[siteIndex]; |
563 |
> |
|
564 |
> |
if (sd->isRigidBody()) { |
565 |
> |
RigidBody* rb = static_cast<RigidBody*>(sd); |
566 |
> |
sd = rb->getAtoms()[siteIndex]; |
567 |
> |
} |
568 |
|
} |
569 |
|
|
570 |
|
/** |