CASM  1.1.0
A Clusters Approach to Statistical Mechanics
ProjectBuilder.hh
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1 #ifndef CASM_ProjectBuilder
2 #define CASM_ProjectBuilder
3 
4 #include <set>
5 
7 #include "casm/global/eigen.hh"
8 
9 namespace CASM {
10 
11 namespace xtal {
12 class BasicStructure;
13 }
14 
15 class ProjectSettings;
16 class Structure;
17 
25 void build_project(ProjectSettings const &project_settings,
26  Structure const &prim);
27 
36  std::string project_name);
37 
47  std::string project_name,
48  fs::path root_dir);
49 
58  double tol);
59 
66 std::set<int> default_nlist_sublat_indices(xtal::BasicStructure const &prim);
67 
68 } // namespace CASM
69 
70 #endif
Structure specifies the lattice and atomic basis of a crystal.
Definition: Structure.hh:30
BasicStructure specifies the lattice and atomic basis of a crystal.
Main CASM namespace.
Definition: APICommand.hh:8
std::set< int > default_nlist_sublat_indices(xtal::BasicStructure const &prim)
Eigen::Matrix3l default_nlist_weight_matrix(xtal::BasicStructure const &prim, double tol)
void build_project(ProjectSettings const &project_settings, Structure const &prim)
ProjectSettings make_default_project_settings(xtal::BasicStructure const &prim, std::string project_name)
Matrix< long int, 3, 3 > Matrix3l
Definition: eigen.hh:12