CASM  1.1.0
A Clusters Approach to Statistical Mechanics
DisplacementDoFTraits.hh
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1 #ifndef CASM_DisplacementDoFTraits
2 #define CASM_DisplacementDoFTraits
3 
5 
6 namespace CASM {
7 namespace DoF_impl {
9  public:
10  DisplacementDoFTraits() : DoFType::Traits(AnisoValTraits::disp()) {}
11 
13  void apply_dof(ConfigDoF const &_dof, BasicStructure const &_reference,
14  SimpleStructure &_struc) const override;
15 
16  std::vector<BasisSet> construct_site_bases(
17  Structure const &_prim,
18  std::vector<Orbit<PrimPeriodicSymCompare<IntegralCluster> > > &_asym_unit,
19  BasisFunctionSpecs const &_basis_function_specs) const override;
20 
21  protected:
22  DoFType::Traits *_clone() const override;
23 };
24 } // namespace DoF_impl
25 
26 namespace DoFType {
27 DoF_impl::DisplacementDoFTraits displacement();
28 }
29 
30 } // namespace CASM
31 #endif
Specifies traits of (possibly) anisotropic crystal properties.
DoFType::Traits * _clone() const override
void apply_dof(ConfigDoF const &_dof, BasicStructure const &_reference, SimpleStructure &_struc) const override
Apply DoF values for this DoF to _struc.
std::vector< BasisSet > construct_site_bases(Structure const &_prim, std::vector< Orbit< PrimPeriodicSymCompare< IntegralCluster > > > &_asym_unit, BasisFunctionSpecs const &_basis_function_specs) const override
Construct the site basis (if DOF_MODE is LOCAL) for a DoF, given its site.
Collection of all the traits specific to a DoF type.
Definition: DoFTraits.hh:59
Traits(AnisoValTraits const &_val_traits, bool _requires_site_basis=false)
Definition: DoFTraits.hh:63
An Orbit of Element.
Definition: Orbit.hh:43
Structure specifies the lattice and atomic basis of a crystal.
Definition: Structure.hh:30
BasicStructure specifies the lattice and atomic basis of a crystal.
Representation of a crystal of molecular and/or atomic occupants, and any additional properties....
DoF_impl::DisplacementDoFTraits displacement()
Main CASM namespace.
Definition: APICommand.hh:8
Specify how to construct basis functions.