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mcpele
1.0.0
The Monte Carlo Python Energy Landscape Explorer
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| action(pele::Array< double > &coords, double energy, bool accepted, MC *mc) | mcpele::RecordScalarTimeseries | [virtual] |
| clear() | mcpele::RecordScalarTimeseries | [inline] |
| get_moving_average_mean(const size_t nr_steps_to_check) | mcpele::RecordScalarTimeseries | |
| get_moving_average_variance(const size_t nr_steps_to_check) | mcpele::RecordScalarTimeseries | |
| get_recorded_scalar(pele::Array< double > &coords, const double energy, const bool accepted, MC *mc) | mcpele::RecordLowestEValueTimeseries | [inline, virtual] |
| get_time_series() | mcpele::RecordScalarTimeseries | [inline] |
| moving_average_is_stable(const size_t nr_steps_to_check=1000, const double rel_std_threshold=0.1) | mcpele::RecordScalarTimeseries | |
| RecordLowestEValueTimeseries(const size_t niter, const size_t record_every, std::shared_ptr< pele::BasePotential > landscape_potential, const size_t boxdimension, pele::Array< double > ranvec, const size_t lbfgsniter=30) | mcpele::RecordLowestEValueTimeseries | [inline] |
| RecordScalarTimeseries(const size_t, const size_t) | mcpele::RecordScalarTimeseries | |
| ~Action() | mcpele::Action | [inline, virtual] |
| ~RecordLowestEValueTimeseries() | mcpele::RecordLowestEValueTimeseries | [inline, virtual] |
| ~RecordScalarTimeseries() | mcpele::RecordScalarTimeseries | [inline, virtual] |
1.7.6.1