ERKALE
ERKALE - DFT from Hel
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Bader Member List

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()Baderprivate
analysis_ongrid()Baderprivate
array_sizeBaderprivate
Bader(bool verbose=true)Bader
check_maximum(const arma::ivec &p) const Baderprivate
check_regions(std::string msg="") const Baderprivate
classify_neargrid(arma::ivec p) const Baderprivate
classify_ongrid(arma::ivec p) const Baderprivate
densBaderprivate
gradient(const arma::ivec &p) const Baderprivate
in_cube(const arma::ivec &p) const Baderprivate
local_maximum(const arma::ivec &p) const Baderprivate
neighbors_assigned(const arma::ivec &p) const Baderprivate
NregionsBaderprivate
nuccBaderprivate
nuclear_charges() const Bader
nuclear_charges(const BasisSet &basis, const arma::mat &P) const Bader
nuclear_regions() const Bader
nucleiBaderprivate
on_boundary(const arma::ivec &p) const Baderprivate
on_edge(const arma::ivec &p) const Baderprivate
partitioning(double l=1.0) const Baderprivate
print_density(double spacing=0.1) const Bader
print_individual_regions(double spacing=0.1) const Bader
print_neighbors(const arma::ivec &p) const Baderprivate
print_regions(double spacing=0.1) const Bader
regionBaderprivate
regional_charges() const Bader
regional_charges(const BasisSet &basis, const arma::mat &P) const Bader
regional_overlap(const BasisSet &basis) const Bader
reorder()Baderprivate
spacingBaderprivate
startBaderprivate
verboseBaderprivate
~Bader()Bader