CASM
AClustersApproachtoStatisticalMechanics
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#include "casm/clex/Reference.hh"
#include "casm/misc/algorithm.hh"
#include "casm/clex/ConfigIO.hh"
Go to the source code of this file.
Classes | |
struct | CASM::ChemicalReferenceState |
Stores the composition and energy in a single reference state. More... | |
class | CASM::ChemicalReference |
struct | CASM::ChemicalReferencePrinter |
Structure to help print ChemicalReference. More... | |
Namespaces | |
CASM | |
Main CASM namespace. | |
Functions | |
ChemicalReference | CASM::auto_chemical_reference (const PrimClex &primclex, double lin_alg_tol) |
Automatically set ChemicalReference using calculated Configurations with 'extreme' compositions. More... | |