occ::io::Settings Struct Reference

#include <structure_format.h>

Public Attributes
double	ewald_accuracy = 1e-8
int	max_interaction_order = 4
int	max_iterations = 200
double	gradient_tolerance = 1e-5
double	neighbor_radius = 20.0
double	spline_min = 0.0
double	spline_max = 0.0
int	spline_order = 3
double	pressure_gpa = 0.0
bool	use_ewald = true

Member Data Documentation

ewald_accuracy

double occ::io::Settings::ewald_accuracy = 1e-8

gradient_tolerance

double occ::io::Settings::gradient_tolerance = 1e-5

max_interaction_order

int occ::io::Settings::max_interaction_order = 4

max_iterations

int occ::io::Settings::max_iterations = 200

neighbor_radius

double occ::io::Settings::neighbor_radius = 20.0

pressure_gpa

double occ::io::Settings::pressure_gpa = 0.0

spline_max

double occ::io::Settings::spline_max = 0.0

spline_min

double occ::io::Settings::spline_min = 0.0

spline_order

int occ::io::Settings::spline_order = 3

use_ewald

bool occ::io::Settings::use_ewald = true

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

• /home/runner/work/occ/occ/include/occ/io/structure_format.h