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occ::elastic_fit::PairInput Struct Reference

#include <elastic_fitting.h>

Public Attributes

int molecule_a
 
int molecule_b
 
occ::Vec3 v_ab_com
 
double energy
 

Member Data Documentation

◆ energy

double occ::elastic_fit::PairInput::energy

◆ molecule_a

int occ::elastic_fit::PairInput::molecule_a

◆ molecule_b

int occ::elastic_fit::PairInput::molecule_b

◆ v_ab_com

occ::Vec3 occ::elastic_fit::PairInput::v_ab_com

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