#include <stochasticnetworkfit.h>
Public Attributes | |
| std::vector< QMStateType > | carriers |
| std::vector< TrapInput > | traps |
| double | bin = 0.05 * tools::conv::nm2bohr |
| double | correlation_cutoff = 0.0 |
| largest distance for kappa(r) and O_l(r); 0: just below half the box | |
| std::vector< Index > | l_b |
| std::vector< Index > | l_c |
| Index | quantiles = 100 |
| bool | fit_points = true |
| false: the point process is not fitted but taken from points | |
| StochasticNetwork::PointProcess | points |
| Index | realizations = 4 |
| Index | max_evaluations = 150 |
| std::uint64_t | seed = 1 |
| double | candidates = 3.0 |
| Index | max_iterations = 200 |
Detailed Description
Definition at line 92 of file stochasticnetworkfit.h.
Member Data Documentation
◆ bin
| double votca::xtp::StochasticNetworkFit::Settings::bin = 0.05 * tools::conv::nm2bohr |
Definition at line 95 of file stochasticnetworkfit.h.
◆ candidates
| double votca::xtp::StochasticNetworkFit::Settings::candidates = 3.0 |
Definition at line 107 of file stochasticnetworkfit.h.
◆ carriers
| std::vector<QMStateType> votca::xtp::StochasticNetworkFit::Settings::carriers |
Definition at line 93 of file stochasticnetworkfit.h.
◆ correlation_cutoff
| double votca::xtp::StochasticNetworkFit::Settings::correlation_cutoff = 0.0 |
largest distance for kappa(r) and O_l(r); 0: just below half the box
Definition at line 97 of file stochasticnetworkfit.h.
◆ fit_points
| bool votca::xtp::StochasticNetworkFit::Settings::fit_points = true |
false: the point process is not fitted but taken from points
Definition at line 102 of file stochasticnetworkfit.h.
◆ l_b
| std::vector<Index> votca::xtp::StochasticNetworkFit::Settings::l_b |
Definition at line 98 of file stochasticnetworkfit.h.
◆ l_c
| std::vector<Index> votca::xtp::StochasticNetworkFit::Settings::l_c |
Definition at line 99 of file stochasticnetworkfit.h.
◆ max_evaluations
| Index votca::xtp::StochasticNetworkFit::Settings::max_evaluations = 150 |
Definition at line 105 of file stochasticnetworkfit.h.
◆ max_iterations
| Index votca::xtp::StochasticNetworkFit::Settings::max_iterations = 200 |
Definition at line 108 of file stochasticnetworkfit.h.
◆ points
| StochasticNetwork::PointProcess votca::xtp::StochasticNetworkFit::Settings::points |
Definition at line 103 of file stochasticnetworkfit.h.
◆ quantiles
| Index votca::xtp::StochasticNetworkFit::Settings::quantiles = 100 |
Definition at line 100 of file stochasticnetworkfit.h.
◆ realizations
| Index votca::xtp::StochasticNetworkFit::Settings::realizations = 4 |
Definition at line 104 of file stochasticnetworkfit.h.
◆ seed
| std::uint64_t votca::xtp::StochasticNetworkFit::Settings::seed = 1 |
Definition at line 106 of file stochasticnetworkfit.h.
◆ traps
| std::vector<TrapInput> votca::xtp::StochasticNetworkFit::Settings::traps |
Definition at line 94 of file stochasticnetworkfit.h.
The documentation for this struct was generated from the following file:
- xtp/include/votca/xtp/stochasticnetworkfit.h
