#include <core/RadialFunction.h>
#include <core/matrix.h>
#include <core/Minimize.h>
#include <cstring>
#include <map>
Classes | |
class | RadialSchrodinger |
Radial schrodinger equation solver (non-interacting eigen-problem for an atom) More... | |
struct | RadialSchrodinger::Outputs |
Optional outputs from compute: retrieve all non-null quantities. More... | |
class | InvertKS |
Invert Kohn-Sham equations to get effective potential for a given electron density. More... | |
Radial Schrodinger equation solution and Kohn-Sham inversion