mcpele
1.0.0
The Monte Carlo Python Energy Landscape Explorer
|
#include <record_displacement_per_particle_timeseries.h>
Public Member Functions | |
RecordDisplacementPerParticleTimeseries (const size_t niter, const size_t record_every, pele::Array< double > initial_coords, const size_t boxdimension) | |
virtual | ~RecordDisplacementPerParticleTimeseries () |
virtual double | get_recorded_scalar (pele::Array< double > &coords, const double energy, const bool accepted, MC *mc) |
Record time series of mean displacement per particle. Motivation: check if HS fluid is decorrelated between snapshots This is useful if particles are not placed back into periodic box.
Definition at line 14 of file record_displacement_per_particle_timeseries.h.
mcpele::RecordDisplacementPerParticleTimeseries::RecordDisplacementPerParticleTimeseries | ( | const size_t | niter, |
const size_t | record_every, | ||
pele::Array< double > | initial_coords, | ||
const size_t | boxdimension | ||
) | [inline] |
Definition at line 18 of file record_displacement_per_particle_timeseries.h.
virtual mcpele::RecordDisplacementPerParticleTimeseries::~RecordDisplacementPerParticleTimeseries | ( | ) | [inline, virtual] |
Definition at line 24 of file record_displacement_per_particle_timeseries.h.
virtual double mcpele::RecordDisplacementPerParticleTimeseries::get_recorded_scalar | ( | pele::Array< double > & | coords, |
const double | energy, | ||
const bool | accepted, | ||
MC * | mc | ||
) | [inline, virtual] |
Implements mcpele::RecordScalarTimeseries.
Definition at line 25 of file record_displacement_per_particle_timeseries.h.