occ::io::CrystalData Struct Reference

#include <structure_format.h>

Public Attributes
double	a = 0
double	b = 0
double	c = 0
double	alpha = 90
double	beta = 90
double	gamma = 90
std::string	space_group
std::vector< IndependentMolecule >	molecules

Member Data Documentation

a

double occ::io::CrystalData::a = 0

alpha

double occ::io::CrystalData::alpha = 90

b

double occ::io::CrystalData::b = 0

beta

double occ::io::CrystalData::beta = 90

c

double occ::io::CrystalData::c = 0

gamma

double occ::io::CrystalData::gamma = 90

molecules

std::vector<IndependentMolecule> occ::io::CrystalData::molecules

space_group

std::string occ::io::CrystalData::space_group

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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