mcpele
1.0.0
The Monte Carlo Python Energy Landscape Explorer
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#include <mc.h>
Public Member Functions | |
virtual | ~TakeStep () |
virtual void | displace (pele::Array< double > &coords, MC *mc)=0 |
virtual void | report (pele::Array< double > &, const double, pele::Array< double > &, const double, const bool, MC *) |
virtual void | increase_acceptance (const double) |
virtual void | decrease_acceptance (const double) |
virtual mcpele::TakeStep::~TakeStep | ( | ) | [inline, virtual] |
virtual void mcpele::TakeStep::decrease_acceptance | ( | const double | ) | [inline, virtual] |
Reimplemented in mcpele::RandomCoordsDisplacement.
virtual void mcpele::TakeStep::displace | ( | pele::Array< double > & | coords, |
MC * | mc | ||
) | [pure virtual] |
virtual void mcpele::TakeStep::increase_acceptance | ( | const double | ) | [inline, virtual] |
Reimplemented in mcpele::RandomCoordsDisplacement.
virtual void mcpele::TakeStep::report | ( | pele::Array< double > & | , |
const double | , | ||
pele::Array< double > & | , | ||
const double | , | ||
const bool | , | ||
MC * | |||
) | [inline, virtual] |
Reimplemented in mcpele::TakeStepPattern, mcpele::TakeStepProbabilities, and mcpele::AdaptiveTakeStep.