mcpele
1.0.0
The Monte Carlo Python Energy Landscape Explorer
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#include <random_coords_displacement.h>
Public Member Functions | |
RandomCoordsDisplacement (const size_t rseed, const double stepsize=1) | |
virtual | ~RandomCoordsDisplacement () |
virtual void | displace (pele::Array< double > &coords, MC *mc)=0 |
size_t | get_seed () const |
void | set_generator_seed (const size_t inp) |
double | expected_mean () const |
double | get_stepsize () const |
double | expected_variance (const double ss) const |
void | increase_acceptance (const double factor) |
void | decrease_acceptance (const double factor) |
size_t | get_count () const |
Protected Attributes | |
size_t | m_seed |
std::mt19937_64 | m_generator |
std::uniform_real_distribution < double > | m_real_distribution |
double | m_stepsize |
size_t | m_count |
Random coords displacement, generates a random displacement for a N dimensional system sampling from a N-dimensional sphere. The stepsize is defined per coordinates, that's why the maximum stepsize is sqrt(N) * stepsize.
Definition at line 16 of file random_coords_displacement.h.
mcpele::RandomCoordsDisplacement::RandomCoordsDisplacement | ( | const size_t | rseed, |
const double | stepsize = 1 |
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) |
Definition at line 7 of file random_coords_displacement.cpp.
virtual mcpele::RandomCoordsDisplacement::~RandomCoordsDisplacement | ( | ) | [inline, virtual] |
Definition at line 25 of file random_coords_displacement.h.
void mcpele::RandomCoordsDisplacement::decrease_acceptance | ( | const double | factor | ) | [inline, virtual] |
Reimplemented from mcpele::TakeStep.
Definition at line 36 of file random_coords_displacement.h.
virtual void mcpele::RandomCoordsDisplacement::displace | ( | pele::Array< double > & | coords, |
MC * | mc | ||
) | [pure virtual] |
Implements mcpele::TakeStep.
Implemented in mcpele::RandomCoordsDisplacementSingle, and mcpele::RandomCoordsDisplacementAll.
double mcpele::RandomCoordsDisplacement::expected_mean | ( | ) | const [inline] |
Definition at line 29 of file random_coords_displacement.h.
double mcpele::RandomCoordsDisplacement::expected_variance | ( | const double | ss | ) | const [inline] |
Reference: http://mathworld.wolfram.com/UniformDistribution.html
Definition at line 34 of file random_coords_displacement.h.
size_t mcpele::RandomCoordsDisplacement::get_count | ( | ) | const [inline] |
Definition at line 37 of file random_coords_displacement.h.
size_t mcpele::RandomCoordsDisplacement::get_seed | ( | ) | const [inline] |
Definition at line 27 of file random_coords_displacement.h.
double mcpele::RandomCoordsDisplacement::get_stepsize | ( | ) | const [inline] |
Definition at line 30 of file random_coords_displacement.h.
void mcpele::RandomCoordsDisplacement::increase_acceptance | ( | const double | factor | ) | [inline, virtual] |
Reimplemented from mcpele::TakeStep.
Definition at line 35 of file random_coords_displacement.h.
void mcpele::RandomCoordsDisplacement::set_generator_seed | ( | const size_t | inp | ) | [inline] |
Definition at line 28 of file random_coords_displacement.h.
size_t mcpele::RandomCoordsDisplacement::m_count [protected] |
Definition at line 22 of file random_coords_displacement.h.
std::mt19937_64 mcpele::RandomCoordsDisplacement::m_generator [protected] |
Definition at line 19 of file random_coords_displacement.h.
std::uniform_real_distribution<double> mcpele::RandomCoordsDisplacement::m_real_distribution [protected] |
Definition at line 20 of file random_coords_displacement.h.
size_t mcpele::RandomCoordsDisplacement::m_seed [protected] |
Definition at line 18 of file random_coords_displacement.h.
double mcpele::RandomCoordsDisplacement::m_stepsize [protected] |
Definition at line 21 of file random_coords_displacement.h.