This is the complete list of members for Bader, including all inherited members.
analyse(const BasisSet &basis, const arma::mat &P, bool neargrid=true, double spacing=0.035, double padding=7.5) | Bader | |
analysis_neargrid() | Bader | private |
analysis_ongrid() | Bader | private |
array_size | Bader | private |
Bader(bool verbose=true) | Bader | |
check_maximum(const arma::ivec &p) const | Bader | private |
check_regions(std::string msg="") const | Bader | private |
classify_neargrid(arma::ivec p) const | Bader | private |
classify_ongrid(arma::ivec p) const | Bader | private |
dens | Bader | private |
gradient(const arma::ivec &p) const | Bader | private |
in_cube(const arma::ivec &p) const | Bader | private |
local_maximum(const arma::ivec &p) const | Bader | private |
neighbors_assigned(const arma::ivec &p) const | Bader | private |
Nregions | Bader | private |
nucc | Bader | private |
nuclear_charges() const | Bader | |
nuclear_charges(const BasisSet &basis, const arma::mat &P) const | Bader | |
nuclear_regions() const | Bader | |
nuclei | Bader | private |
on_boundary(const arma::ivec &p) const | Bader | private |
on_edge(const arma::ivec &p) const | Bader | private |
partitioning(double l=1.0) const | Bader | private |
print_density(double spacing=0.1) const | Bader | |
print_individual_regions(double spacing=0.1) const | Bader | |
print_neighbors(const arma::ivec &p) const | Bader | private |
print_regions(double spacing=0.1) const | Bader | |
region | Bader | private |
regional_charges() const | Bader | |
regional_charges(const BasisSet &basis, const arma::mat &P) const | Bader | |
regional_overlap(const BasisSet &basis) const | Bader | |
reorder() | Bader | private |
spacing | Bader | private |
start | Bader | private |
verbose | Bader | private |
~Bader() | Bader |