occ::elastic_fit::FittingSettings Struct Reference

#include <elastic_fitting.h>

Public Attributes
PotentialType	potential_type = PotentialType::LJ
bool	include_positive = false
bool	max_to_zero = false
double	scale_factor = 2.0
double	temperature = 0.0
double	gulp_scale = 0.01
LinearSolverType	solver_type = LinearSolverType::SVD
double	svd_threshold = 1e-12
bool	animate_phonons = false
bool	save_debug_matrices = false
occ::IVec3	shrinking_factors {1, 1, 1}
occ::Vec3	shift {0.0, 0.0, 0.0}
std::string	gulp_file

Member Data Documentation

animate_phonons

bool occ::elastic_fit::FittingSettings::animate_phonons = false

gulp_file

std::string occ::elastic_fit::FittingSettings::gulp_file

gulp_scale

double occ::elastic_fit::FittingSettings::gulp_scale = 0.01

include_positive

bool occ::elastic_fit::FittingSettings::include_positive = false

max_to_zero

bool occ::elastic_fit::FittingSettings::max_to_zero = false

potential_type

PotentialType occ::elastic_fit::FittingSettings::potential_type = PotentialType::LJ

save_debug_matrices

bool occ::elastic_fit::FittingSettings::save_debug_matrices = false

scale_factor

double occ::elastic_fit::FittingSettings::scale_factor = 2.0

shift

occ::Vec3 occ::elastic_fit::FittingSettings::shift {0.0, 0.0, 0.0}

shrinking_factors

occ::IVec3 occ::elastic_fit::FittingSettings::shrinking_factors {1, 1, 1}

solver_type

LinearSolverType occ::elastic_fit::FittingSettings::solver_type = LinearSolverType::SVD

svd_threshold

double occ::elastic_fit::FittingSettings::svd_threshold = 1e-12

temperature

double occ::elastic_fit::FittingSettings::temperature = 0.0

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

• /home/runner/work/occ/occ/include/occ/elastic_fit/elastic_fitting.h