mcpele
1.0.0
The Monte Carlo Python Energy Landscape Explorer
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#include <pair_dist_histogram.h>
Public Member Functions | |
PairDistHistogram (pele::Array< double > boxvector, const size_t nr_bins) | |
virtual | ~PairDistHistogram () |
void | add_configuration (pele::Array< double > coords) |
void | add_distance (const size_t i, const size_t j, const double *coor) |
double | volume_nball (const double radius, const size_t ndim) const |
std::vector< double > | get_vecdata_r () const |
std::vector< double > | get_vecdata_gr (const double number_density, const size_t nr_particles) const |
Definition at line 16 of file pair_dist_histogram.h.
mcpele::PairDistHistogram< BOXDIM >::PairDistHistogram | ( | pele::Array< double > | boxvector, |
const size_t | nr_bins | ||
) | [inline] |
Definition at line 26 of file pair_dist_histogram.h.
virtual mcpele::PairDistHistogram< BOXDIM >::~PairDistHistogram | ( | ) | [inline, virtual] |
Definition at line 39 of file pair_dist_histogram.h.
void mcpele::PairDistHistogram< BOXDIM >::add_configuration | ( | pele::Array< double > | coords | ) | [inline] |
Definition at line 40 of file pair_dist_histogram.h.
void mcpele::PairDistHistogram< BOXDIM >::add_distance | ( | const size_t | i, |
const size_t | j, | ||
const double * | coor | ||
) | [inline] |
Definition at line 50 of file pair_dist_histogram.h.
std::vector<double> mcpele::PairDistHistogram< BOXDIM >::get_vecdata_gr | ( | const double | number_density, |
const size_t | nr_particles | ||
) | const [inline] |
Definition at line 80 of file pair_dist_histogram.h.
std::vector<double> mcpele::PairDistHistogram< BOXDIM >::get_vecdata_r | ( | ) | const [inline] |
Definition at line 71 of file pair_dist_histogram.h.
double mcpele::PairDistHistogram< BOXDIM >::volume_nball | ( | const double | radius, |
const size_t | ndim | ||
) | const [inline] |
Definition at line 67 of file pair_dist_histogram.h.