votca 2026-dev
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votca::xtp::LatticeModel::Options Struct Reference

#include <latticemodel.h>

Collaboration diagram for votca::xtp::LatticeModel::Options:

Public Attributes

std::array< Index, 3 > dims = {8, 8, 8}
double spacing = 1.0
double cutoff = 1.5
double J2 = 0.0
double decay_length = 1.0
double reorganization = 0.0
double mean_energy = 0.0
double sigma = 0.0
Disorder disorder = Disorder::None
double eta_a = 0.2
double eta_b = 0.4
Index l_b = 9
Index l_c = 280
bool include_self = true
std::uint64_t seed = 1
std::vector< QMStateType > states
std::string segment_name = "site"

Detailed Description

Definition at line 59 of file latticemodel.h.

Member Data Documentation

◆ cutoff

double votca::xtp::LatticeModel::Options::cutoff = 1.5

Definition at line 62 of file latticemodel.h.

◆ decay_length

double votca::xtp::LatticeModel::Options::decay_length = 1.0

Definition at line 64 of file latticemodel.h.

◆ dims

std::array<Index, 3> votca::xtp::LatticeModel::Options::dims = {8, 8, 8}

Definition at line 60 of file latticemodel.h.

◆ disorder

Disorder votca::xtp::LatticeModel::Options::disorder = Disorder::None

Definition at line 68 of file latticemodel.h.

◆ eta_a

double votca::xtp::LatticeModel::Options::eta_a = 0.2

Definition at line 69 of file latticemodel.h.

◆ eta_b

double votca::xtp::LatticeModel::Options::eta_b = 0.4

Definition at line 70 of file latticemodel.h.

◆ include_self

bool votca::xtp::LatticeModel::Options::include_self = true

the l_b and l_c sites of the averages include the site itself (Baumeier et al., PRB 86, 184202 (2012)); false: the l nearest other sites (eq. 2.5 of Chen et al., arXiv:2405.15836)

Definition at line 76 of file latticemodel.h.

◆ J2

double votca::xtp::LatticeModel::Options::J2 = 0.0

Definition at line 63 of file latticemodel.h.

◆ l_b

Index votca::xtp::LatticeModel::Options::l_b = 9

Definition at line 71 of file latticemodel.h.

◆ l_c

Index votca::xtp::LatticeModel::Options::l_c = 280

Definition at line 72 of file latticemodel.h.

◆ mean_energy

double votca::xtp::LatticeModel::Options::mean_energy = 0.0

Definition at line 66 of file latticemodel.h.

◆ reorganization

double votca::xtp::LatticeModel::Options::reorganization = 0.0

Definition at line 65 of file latticemodel.h.

◆ seed

std::uint64_t votca::xtp::LatticeModel::Options::seed = 1

Definition at line 77 of file latticemodel.h.

◆ segment_name

std::string votca::xtp::LatticeModel::Options::segment_name = "site"

Definition at line 80 of file latticemodel.h.

◆ sigma

double votca::xtp::LatticeModel::Options::sigma = 0.0

Definition at line 67 of file latticemodel.h.

◆ spacing

double votca::xtp::LatticeModel::Options::spacing = 1.0

Definition at line 61 of file latticemodel.h.

◆ states

std::vector<QMStateType> votca::xtp::LatticeModel::Options::states

The documentation for this struct was generated from the following file: