occ::elastic_fit::FittingResults Struct Reference

#include <elastic_fitting.h>

Collaboration diagram for occ::elastic_fit::FittingResults:

Public Attributes
double	lattice_energy = 0.0
occ::Mat6	elastic_tensor
double	energy_shift_applied = 0.0
size_t	discarded_positive_pairs = 0
double	discarded_total_energy = 0.0
size_t	total_potentials_created = 0
std::vector< std::string >	gulp_strings

Member Data Documentation

discarded_positive_pairs

size_t occ::elastic_fit::FittingResults::discarded_positive_pairs = 0

discarded_total_energy

double occ::elastic_fit::FittingResults::discarded_total_energy = 0.0

elastic_tensor

occ::Mat6 occ::elastic_fit::FittingResults::elastic_tensor

energy_shift_applied

double occ::elastic_fit::FittingResults::energy_shift_applied = 0.0

gulp_strings

std::vector<std::string> occ::elastic_fit::FittingResults::gulp_strings

lattice_energy

double occ::elastic_fit::FittingResults::lattice_energy = 0.0

total_potentials_created

size_t occ::elastic_fit::FittingResults::total_potentials_created = 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