CASM
AClustersApproachtoStatisticalMechanics
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Structure.hh File Reference
#include <iostream>
#include <cstdlib>
#include <cmath>
#include "casm/crystallography/BasicStructure.hh"
#include "casm/crystallography/Site.hh"

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Classes

singleton  CASM::GenericOrbitree< ClustType >
 
class  CASM::Structure
 Structure specifies the lattice and atomic basis of a crystal. More...
 

Namespaces

 CASM
 Main CASM namespace.
 

Functions

jsonParser & CASM::to_json (const Structure &structure, jsonParser &json)
 
void CASM::from_json (Structure &structure, const jsonParser &json)
 
Structure CASM::operator* (const Lattice &LHS, const Structure &RHS)
 
Structure CASM::operator+ (const Coordinate &LHS, const Structure &RHS)
 
Structure CASM::operator+ (const Structure &LHS, const Coordinate &RHS)
 
Structure CASM::operator+ (const Structure &LHS, const Structure &RHS)
 
Structure CASM::operator+ (const Structure &LHS, const Lattice &RHS)
 
Structure CASM::operator+ (const Lattice &LHS, const Structure &RHS)
 
std::vector< std::vector< Index > > CASM::get_index_converter (const Structure &struc, std::vector< Molecule > mol_list)
 Helper Functions. More...
 
std::vector< std::vector< Index > > CASM::get_index_converter (const Structure &struc, std::vector< std::string > mol_name_list)
 
std::vector< std::vector< Index > > CASM::get_index_converter_inverse (const Structure &struc, std::vector< std::string > mol_name_list)