mcpele
1.0.0
The Monte Carlo Python Energy Landscape Explorer
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#include <rsm_displacement.h>
Public Member Functions | |
virtual | ~GetDisplacementPerParticle () |
GetDisplacementPerParticle (pele::Array< double >, const size_t) | |
double | compute_mean_particle_displacement (pele::Array< double >) |
double | get_particle_displ (const size_t, pele::Array< double >) |
Definition at line 9 of file rsm_displacement.h.
virtual mcpele::GetDisplacementPerParticle::~GetDisplacementPerParticle | ( | ) | [inline, virtual] |
Definition at line 15 of file rsm_displacement.h.
mcpele::GetDisplacementPerParticle::GetDisplacementPerParticle | ( | pele::Array< double > | initial_coordinates_, |
const size_t | boxdimension_ | ||
) |
Definition at line 10 of file rsm_displacement.cpp.
double mcpele::GetDisplacementPerParticle::compute_mean_particle_displacement | ( | pele::Array< double > | new_coords | ) |
Definition at line 17 of file rsm_displacement.cpp.
double mcpele::GetDisplacementPerParticle::get_particle_displ | ( | const size_t | particle_idx, |
pele::Array< double > | new_coords | ||
) |
Definition at line 29 of file rsm_displacement.cpp.