JDFTx  1.7.0
RadialSchrodinger.h File Reference
#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...
 

Detailed Description

Radial Schrodinger equation solution and Kohn-Sham inversion