OpenCAP
Electronic structure of metastable states
AOCAP Member List

This is the complete list of members for AOCAP, including all inherited members.

angular_pointsAOCAP
AOCAP(std::vector< Atom > geometry, std::map< std::string, std::string > params)AOCAP
AOCAP(std::vector< Atom > geometry, std::map< std::string, std::string > params, const std::function< std::vector< double >(std::vector< double > &, std::vector< double > &, std::vector< double > &, std::vector< double > &)> &cap_func)AOCAP
AOCAP()AOCAPinline
atomsAOCAP
cap_funcAOCAP
cap_typeAOCAP
cap_xAOCAP
cap_yAOCAP
cap_zAOCAP
compute_ao_cap_mat(Eigen::MatrixXd &cap_mat, BasisSet &bs)AOCAP
compute_cap_on_grid(Eigen::MatrixXd &cap_mat, BasisSet bs, double *x, double *y, double *z, double *grid_w, int num_points)AOCAP
do_numericalAOCAP
num_atomsAOCAP
r_cutAOCAP
radial_precisionAOCAP
threshAOCAP