|
mcpele
1.0.0
The Monte Carlo Python Energy Landscape Explorer
|
| AdaptiveTakeStep(std::shared_ptr< TakeStep > ts, const size_t interval=100, const double factor=0.9, const double min_acceptance_ratio=0.2, const double max_acceptance_ratio=0.5) | mcpele::AdaptiveTakeStep | |
| decrease_acceptance(const double) | mcpele::TakeStep | [inline, virtual] |
| displace(pele::Array< double > &coords, MC *mc) | mcpele::AdaptiveTakeStep | [inline, virtual] |
| get_max_acceptance_ratio() const | mcpele::AdaptiveTakeStep | [inline] |
| get_min_acceptance_ratio() const | mcpele::AdaptiveTakeStep | [inline] |
| increase_acceptance(const double) | mcpele::TakeStep | [inline, virtual] |
| m_accepted_steps | mcpele::AdaptiveTakeStep | [protected] |
| m_factor | mcpele::AdaptiveTakeStep | [protected] |
| m_interval | mcpele::AdaptiveTakeStep | [protected] |
| m_max_acceptance_ratio | mcpele::AdaptiveTakeStep | [protected] |
| m_min_acceptance_ratio | mcpele::AdaptiveTakeStep | [protected] |
| m_total_steps | mcpele::AdaptiveTakeStep | [protected] |
| m_ts | mcpele::AdaptiveTakeStep | [protected] |
| 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::AdaptiveTakeStep | [virtual] |
| ~AdaptiveTakeStep() | mcpele::AdaptiveTakeStep | [inline, virtual] |
| ~TakeStep() | mcpele::TakeStep | [inline, virtual] |
1.7.6.1