#include <stochasticnetworkfit.h>
Public Attributes | |
| double | mean = 0.0 |
| double | sigma = 0.0 |
| double | sigma_model = 0.0 |
| double | cbar = 0.0 |
| Index | l_b = 1 |
| Index | l_c = 1 |
| double | w_a = 1.0 |
| double | w_b = 0.0 |
| double | w_c = 0.0 |
| double | rms = 0.0 |
| Curve | kappa |
| Curve | kappa_model |
| the model on the microscopic sites, in the same (sample) form | |
| bool | fitted = false |
| Curve | l_c_scan |
| rms of the best fit for each l_c (r: l_c) | |
| bool | l_b_at_edge = false |
| bool | l_c_at_edge = false |
Detailed Description
Definition at line 142 of file stochasticnetworkfit.h.
Member Data Documentation
◆ cbar
| double votca::xtp::StochasticNetworkFit::EnergyFit::cbar = 0.0 |
Definition at line 146 of file stochasticnetworkfit.h.
◆ fitted
| bool votca::xtp::StochasticNetworkFit::EnergyFit::fitted = false |
Definition at line 156 of file stochasticnetworkfit.h.
◆ kappa
| Curve votca::xtp::StochasticNetworkFit::EnergyFit::kappa |
Definition at line 153 of file stochasticnetworkfit.h.
◆ kappa_model
| Curve votca::xtp::StochasticNetworkFit::EnergyFit::kappa_model |
the model on the microscopic sites, in the same (sample) form
Definition at line 155 of file stochasticnetworkfit.h.
◆ l_b
| Index votca::xtp::StochasticNetworkFit::EnergyFit::l_b = 1 |
Definition at line 147 of file stochasticnetworkfit.h.
◆ l_b_at_edge
| bool votca::xtp::StochasticNetworkFit::EnergyFit::l_b_at_edge = false |
Definition at line 159 of file stochasticnetworkfit.h.
◆ l_c
| Index votca::xtp::StochasticNetworkFit::EnergyFit::l_c = 1 |
Definition at line 148 of file stochasticnetworkfit.h.
◆ l_c_at_edge
| bool votca::xtp::StochasticNetworkFit::EnergyFit::l_c_at_edge = false |
Definition at line 160 of file stochasticnetworkfit.h.
◆ l_c_scan
| Curve votca::xtp::StochasticNetworkFit::EnergyFit::l_c_scan |
rms of the best fit for each l_c (r: l_c)
Definition at line 158 of file stochasticnetworkfit.h.
◆ mean
| double votca::xtp::StochasticNetworkFit::EnergyFit::mean = 0.0 |
Definition at line 143 of file stochasticnetworkfit.h.
◆ rms
| double votca::xtp::StochasticNetworkFit::EnergyFit::rms = 0.0 |
Definition at line 152 of file stochasticnetworkfit.h.
◆ sigma
| double votca::xtp::StochasticNetworkFit::EnergyFit::sigma = 0.0 |
Definition at line 144 of file stochasticnetworkfit.h.
◆ sigma_model
| double votca::xtp::StochasticNetworkFit::EnergyFit::sigma_model = 0.0 |
Definition at line 145 of file stochasticnetworkfit.h.
◆ w_a
| double votca::xtp::StochasticNetworkFit::EnergyFit::w_a = 1.0 |
Definition at line 149 of file stochasticnetworkfit.h.
◆ w_b
| double votca::xtp::StochasticNetworkFit::EnergyFit::w_b = 0.0 |
Definition at line 150 of file stochasticnetworkfit.h.
◆ w_c
| double votca::xtp::StochasticNetworkFit::EnergyFit::w_c = 0.0 |
Definition at line 151 of file stochasticnetworkfit.h.
The documentation for this struct was generated from the following file:
- xtp/include/votca/xtp/stochasticnetworkfit.h
