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eonc::thermostat_options_t Struct Reference

#include <ParametersOptions.h>

Public Attributes

std::string kind {"none"}
double andersen_alpha {1.0}
double andersen_tcol_input {100.0}
double andersen_tcol {0.0}
double nose_mass {1.0}
double langevin_friction_input {0.01}
double langevin_friction {0.0}
long path_beads {8}
std::string path_springs {"trotter"}
double path_eco_omega_max {0.0}
std::string path_gle_file
double path_pile_tau_input {100.0}
double path_pile_tau {0.0}
double path_pile_scale {1.0}
std::uint64_t path_seed {1}

Detailed Description

Definition at line 658 of file ParametersOptions.h.

Member Data Documentation

◆ andersen_alpha

double eonc::thermostat_options_t::andersen_alpha {1.0}

Definition at line 660 of file ParametersOptions.h.

660{1.0};

◆ andersen_tcol

double eonc::thermostat_options_t::andersen_tcol {0.0}

Definition at line 662 of file ParametersOptions.h.

662{0.0}; // computed

◆ andersen_tcol_input

double eonc::thermostat_options_t::andersen_tcol_input {100.0}

Definition at line 661 of file ParametersOptions.h.

661{100.0};

◆ kind

std::string eonc::thermostat_options_t::kind {"none"}

Definition at line 659 of file ParametersOptions.h.

659{"none"};

◆ langevin_friction

double eonc::thermostat_options_t::langevin_friction {0.0}

Definition at line 665 of file ParametersOptions.h.

665{0.0}; // computed: input * timeUnit

◆ langevin_friction_input

double eonc::thermostat_options_t::langevin_friction_input {0.01}

Definition at line 664 of file ParametersOptions.h.

664{0.01};

◆ nose_mass

double eonc::thermostat_options_t::nose_mass {1.0}

Definition at line 663 of file ParametersOptions.h.

663{1.0};

◆ path_beads

long eonc::thermostat_options_t::path_beads {8}

Definition at line 666 of file ParametersOptions.h.

666{8};

◆ path_eco_omega_max

double eonc::thermostat_options_t::path_eco_omega_max {0.0}

Definition at line 668 of file ParametersOptions.h.

668{0.0};

◆ path_gle_file

std::string eonc::thermostat_options_t::path_gle_file

Definition at line 669 of file ParametersOptions.h.

◆ path_pile_scale

double eonc::thermostat_options_t::path_pile_scale {1.0}

Definition at line 672 of file ParametersOptions.h.

672{1.0};

◆ path_pile_tau

double eonc::thermostat_options_t::path_pile_tau {0.0}

Definition at line 671 of file ParametersOptions.h.

671{0.0}; // input / timeUnit

◆ path_pile_tau_input

double eonc::thermostat_options_t::path_pile_tau_input {100.0}

Definition at line 670 of file ParametersOptions.h.

670{100.0}; // fs

◆ path_seed

std::uint64_t eonc::thermostat_options_t::path_seed {1}

Definition at line 673 of file ParametersOptions.h.

673{1};

◆ path_springs

std::string eonc::thermostat_options_t::path_springs {"trotter"}

Definition at line 667 of file ParametersOptions.h.

667{"trotter"};

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