#include <graphrandomwalk.h>
Public Attributes | |
| std::string | solver |
| Index | carriers = 1 |
| Observable | observable = Observable::First |
| Index | unknowns = 0 |
| double | backward_error = 0.0 |
| Index | refinement_steps = 0 |
| Index | iterations = 0 |
| iterative solvers: total iterations | |
| bool | converged = true |
| std::vector< std::vector< Index > > | sources |
| Eigen::VectorXd | tau |
| Eigen::VectorXd | tau_std |
| double | tau_mean = 0.0 |
| double | tau_std_injection = 0.0 |
| double | tau_harmonic = 0.0 |
| harmonic mean over the injection states (eq. 3.4 of the paper) | |
| Eigen::VectorXd | occupation_time |
Detailed Description
Definition at line 96 of file graphrandomwalk.h.
Member Data Documentation
◆ backward_error
| double votca::xtp::GraphRandomWalk::Result::backward_error = 0.0 |
largest componentwise backward error |Q x - b|_i / (|Q| |x| + |b|)_i after refinement, over all solves
Definition at line 103 of file graphrandomwalk.h.
◆ carriers
| Index votca::xtp::GraphRandomWalk::Result::carriers = 1 |
Definition at line 98 of file graphrandomwalk.h.
◆ converged
| bool votca::xtp::GraphRandomWalk::Result::converged = true |
false if an iterative solve hit the iteration limit or the backward error after refinement is above 1e-10
Definition at line 109 of file graphrandomwalk.h.
◆ iterations
| Index votca::xtp::GraphRandomWalk::Result::iterations = 0 |
iterative solvers: total iterations
Definition at line 106 of file graphrandomwalk.h.
◆ observable
| Observable votca::xtp::GraphRandomWalk::Result::observable = Observable::First |
Definition at line 99 of file graphrandomwalk.h.
◆ occupation_time
| Eigen::VectorXd votca::xtp::GraphRandomWalk::Result::occupation_time |
expected time each graph site is occupied before absorption, uniform injection; sums to carriers x tau_mean for Transit and for one carrier, to 2 x tau_mean for two carriers and First. Zero on sinks.
Definition at line 128 of file graphrandomwalk.h.
◆ refinement_steps
| Index votca::xtp::GraphRandomWalk::Result::refinement_steps = 0 |
Definition at line 104 of file graphrandomwalk.h.
◆ solver
| std::string votca::xtp::GraphRandomWalk::Result::solver |
Definition at line 97 of file graphrandomwalk.h.
◆ sources
| std::vector<std::vector<Index> > votca::xtp::GraphRandomWalk::Result::sources |
injection states: one carrier: one site, two carriers: two sites (graph indices); the mean time per state and (observable First only) the standard deviation of the hitting time
Definition at line 114 of file graphrandomwalk.h.
◆ tau
| Eigen::VectorXd votca::xtp::GraphRandomWalk::Result::tau |
Definition at line 115 of file graphrandomwalk.h.
◆ tau_harmonic
| double votca::xtp::GraphRandomWalk::Result::tau_harmonic = 0.0 |
harmonic mean over the injection states (eq. 3.4 of the paper)
Definition at line 123 of file graphrandomwalk.h.
◆ tau_mean
| double votca::xtp::GraphRandomWalk::Result::tau_mean = 0.0 |
uniform injection: mean, and (First only) standard deviation of the hitting time
Definition at line 120 of file graphrandomwalk.h.
◆ tau_std
| Eigen::VectorXd votca::xtp::GraphRandomWalk::Result::tau_std |
Definition at line 116 of file graphrandomwalk.h.
◆ tau_std_injection
| double votca::xtp::GraphRandomWalk::Result::tau_std_injection = 0.0 |
Definition at line 121 of file graphrandomwalk.h.
◆ unknowns
| Index votca::xtp::GraphRandomWalk::Result::unknowns = 0 |
Definition at line 100 of file graphrandomwalk.h.
The documentation for this struct was generated from the following file:
- xtp/include/votca/xtp/graphrandomwalk.h
