occ::elastic_fit::ElasticFitInput Struct Reference

#include <elastic_fitting.h>

Public Attributes
occ::Mat3	lattice_vectors
double	volume
std::vector< MoleculeInput >	molecules
std::vector< PairInput >	pairs
std::string	title
std::string	model

Member Data Documentation

lattice_vectors

occ::Mat3 occ::elastic_fit::ElasticFitInput::lattice_vectors

model

std::string occ::elastic_fit::ElasticFitInput::model

molecules

std::vector<MoleculeInput> occ::elastic_fit::ElasticFitInput::molecules

pairs

std::vector<PairInput> occ::elastic_fit::ElasticFitInput::pairs

title

std::string occ::elastic_fit::ElasticFitInput::title

volume

double occ::elastic_fit::ElasticFitInput::volume

---

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

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