eonc::pathintegral::Options Struct Reference

#include <PathIntegral.h>

Public Attributes
long	beads {8}
double	temperature {1.0}
double	kB {1.0}
double	hbar {1.0}
double	dt {0.005}
Springs	springs {Springs::Trotter}
Thermostat	thermostat {Thermostat::Pile}
double	pileTau {0.2}
	Centroid Langevin time, in the same time unit as dt.
double	pileScale {1.0}
	Scales the critical PILE damping of the internal modes.
double	ecoOmegaMax {0.0}
	Highest physical frequency the economised springs reproduce.
std::string	gleFile
	Normal-mode GLE matrices.
std::uint64_t	seed {1}

Detailed Description

Definition at line 48 of file PathIntegral.h.

Member Data Documentation

beads

long eonc::pathintegral::Options::beads {8}

Definition at line 49 of file PathIntegral.h.

{8};

dt

double eonc::pathintegral::Options::dt {0.005}

Definition at line 53 of file PathIntegral.h.

{0.005};

ecoOmegaMax

double eonc::pathintegral::Options::ecoOmegaMax {0.0}

Highest physical frequency the economised springs reproduce.

Definition at line 61 of file PathIntegral.h.

{0.0};

gleFile

std::string eonc::pathintegral::Options::gleFile

Normal-mode GLE matrices.

One block per internal mode, or one block per bead with the centroid block ignored.

Definition at line 64 of file PathIntegral.h.

hbar

double eonc::pathintegral::Options::hbar {1.0}

Definition at line 52 of file PathIntegral.h.

{1.0};

kB

double eonc::pathintegral::Options::kB {1.0}

Definition at line 51 of file PathIntegral.h.

{1.0};

pileScale

double eonc::pathintegral::Options::pileScale {1.0}

Scales the critical PILE damping of the internal modes.

Definition at line 59 of file PathIntegral.h.

{1.0};

pileTau

double eonc::pathintegral::Options::pileTau {0.2}

Centroid Langevin time, in the same time unit as dt.

Definition at line 57 of file PathIntegral.h.

{0.2};

seed

std::uint64_t eonc::pathintegral::Options::seed {1}

Definition at line 65 of file PathIntegral.h.

{1};

springs

Springs eonc::pathintegral::Options::springs {Springs::Trotter}

Definition at line 54 of file PathIntegral.h.

{Springs::Trotter};

temperature

double eonc::pathintegral::Options::temperature {1.0}

Definition at line 50 of file PathIntegral.h.

{1.0};

thermostat

Thermostat eonc::pathintegral::Options::thermostat {Thermostat::Pile}

Definition at line 55 of file PathIntegral.h.

{Thermostat::Pile};

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

• /home/runner/work/eOn/eOn/include/eon/PathIntegral.h