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.";
Calculate number of each species per unit cell.
CASM::BaseDatumFormatter< CASM::Configuration > * make_TestCompN_formatter()
static const std::string Desc
Eigen::VectorXd evaluate(const Configuration &config) const override
Returns the parametric composition.
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...
static const std::string Name
A Configuration represents the values of all degrees of freedom in a Supercell.