#include <PIQTST.h>

Public Attributes
double	s {0.0}
	The dividing plane s*, amu^0.5 Angstrom.
long	equilibration {500}
	Thermostatted steps on the plane before the first parent.
long	parents {0}
	Parent configurations, each this many thermostatted steps after the last.
long	spacing {50}
long	children {20}
	Momentum draws per parent; each runs forward and reversed.
long	steps {0}
	Unconstrained, thermostat-free steps per child of ring.dt.
pathintegral::Options	ring
	The parents' ring and thermostat.
std::function< VectorXd(double)>	seed
	Cartesian centroid to start the parent ring at.

Detailed Description

Definition at line 117 of file PIQTST.h.

Member Data Documentation

◆ children

long eonc::piqtst::RecrossingOptions::children {20}

Momentum draws per parent; each runs forward and reversed.

Definition at line 127 of file PIQTST.h.

127{20};

◆ equilibration

long eonc::piqtst::RecrossingOptions::equilibration {500}

Thermostatted steps on the plane before the first parent.

Definition at line 121 of file PIQTST.h.

121{500};

◆ parents

long eonc::piqtst::RecrossingOptions::parents {0}

Parent configurations, each this many thermostatted steps after the last.

Definition at line 124 of file PIQTST.h.

124{0};

◆ ring

pathintegral::Options eonc::piqtst::RecrossingOptions::ring

The parents' ring and thermostat.

The children use its beads, temperature and time step.

Definition at line 132 of file PIQTST.h.

◆ s

double eonc::piqtst::RecrossingOptions::s {0.0}

The dividing plane s*, amu^0.5 Angstrom.

Definition at line 119 of file PIQTST.h.

119{0.0};

◆ seed

std::function<VectorXd(double)> eonc::piqtst::RecrossingOptions::seed

Cartesian centroid to start the parent ring at.

Empty starts on reference + s M^(-1/2) n.

Definition at line 135 of file PIQTST.h.

◆ spacing

long eonc::piqtst::RecrossingOptions::spacing {50}

Definition at line 125 of file PIQTST.h.

125{50};

◆ steps

long eonc::piqtst::RecrossingOptions::steps {0}

Unconstrained, thermostat-free steps per child of ring.dt.

Definition at line 129 of file PIQTST.h.

129{0};

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

/home/runner/work/eOn/eOn/include/eon/PIQTST.h

Public Attributes