mcpele
1.0.0
The Monte Carlo Python Energy Landscape Explorer
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add_step(std::shared_ptr< TakeStep > step_input, const double weight_input=1) | mcpele::TakeStepProbabilities | |
decrease_acceptance(const double) | mcpele::TakeStep | [inline, virtual] |
displace(pele::Array< double > &coords, MC *mc) | mcpele::TakeStepProbabilities | [virtual] |
get_weights() const | mcpele::TakeStepProbabilities | [inline] |
increase_acceptance(const double) | mcpele::TakeStep | [inline, virtual] |
report(pele::Array< double > &old_coords, const double old_energy, pele::Array< double > &new_coords, const double new_energy, const bool success, MC *mc) | mcpele::TakeStepProbabilities | [virtual] |
TakeStepProbabilities(const size_t seed) | mcpele::TakeStepProbabilities | |
~TakeStep() | mcpele::TakeStep | [inline, virtual] |
~TakeStepProbabilities() | mcpele::TakeStepProbabilities | [inline, virtual] |