CASM
AClustersApproachtoStatisticalMechanics
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TestCompN.cc
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1 #include "TestCompN.hh"
3 
4 extern "C" {
6  return new CASM::ConfigIO::TestCompN();
7  }
8 }
9 
10 namespace CASM {
11 
12  namespace ConfigIO {
13  // --- CompN implementations -----------
14 
15  const std::string TestCompN::Name = "test_comp_n";
16 
17  const std::string TestCompN::Desc =
18  "Number of each species per unit cell, including vacancies. "
19  "No argument prints all available values. Ex: test_comp_n, test_comp_n(Au), test_comp_n(Pt), etc.";
20 
23  return comp_n(config);
24  }
25  }
26 }
Calculate number of each species per unit cell.
Definition: TestCompN.hh:17
CASM::BaseDatumFormatter< CASM::Configuration > * make_TestCompN_formatter()
Definition: TestCompN.cc:5
Main CASM namespace.
Definition: complete.cpp:8
static const std::string Desc
Definition: TestCompN.hh:23
Eigen::VectorXd evaluate(const Configuration &config) const override
Returns the parametric composition.
Definition: TestCompN.cc:22
Eigen::VectorXd comp_n(const ConfigDoF &configdof, const Supercell &scel)
Returns comp_n, the number of each molecule per primitive cell, ordered as Structure::get_struc_molec...
Definition: ConfigDoF.cc:312
Eigen::VectorXd VectorXd
Abstract base class from which all other DatumFormatter classes inherit.
static const std::string Name
Definition: TestCompN.hh:21
A Configuration represents the values of all degrees of freedom in a Supercell.