| 43 |
|
#include "applications/staticProps/SpatialStatistics.hpp" |
| 44 |
|
#include "io/DumpReader.hpp" |
| 45 |
|
#include "primitives/Molecule.hpp" |
| 46 |
+ |
#ifdef _MSC_VER |
| 47 |
+ |
#define isnan(x) _isnan((x)) |
| 48 |
+ |
#define isinf(x) (!_finite(x) && !_isnan(x)) |
| 49 |
+ |
#endif |
| 50 |
|
|
| 51 |
|
namespace OpenMD { |
| 52 |
|
|
| 141 |
|
processStuntDouble( sd, bin ); |
| 142 |
|
|
| 143 |
|
dynamic_cast<Accumulator *>(counts_->accumulator[bin])->add(1); |
| 144 |
< |
} |
| 144 |
> |
} |
| 145 |
|
} |
| 146 |
|
|
| 147 |
|
|
| 323 |
|
} |
| 324 |
|
|
| 325 |
|
SlabStatistics::~SlabStatistics() { |
| 322 |
– |
delete z_; |
| 326 |
|
} |
| 327 |
|
|
| 328 |
|
|
| 329 |
|
void SlabStatistics::processFrame(int istep) { |
| 330 |
|
RealType z; |
| 331 |
+ |
|
| 332 |
|
hmat_ = currentSnapshot_->getHmat(); |
| 333 |
|
for (int i = 0; i < nBins_; i++) { |
| 334 |
|
z = (((RealType)i + 0.5) / (RealType)nBins_) * hmat_(2,2); |
| 372 |
|
} |
| 373 |
|
|
| 374 |
|
ShellStatistics::~ShellStatistics() { |
| 371 |
– |
delete r_; |
| 375 |
|
} |
| 376 |
|
|
| 377 |
|
int ShellStatistics::getBin(Vector3d pos) { |
