electronicstructureapp.h File Reference

#include <madness/mra/mra.h>
#include <madness/misc/ran.h>
#include "electronicstructureparams.h"
#include "libxc.h"
#include "complexfun.h"
#include "esolver.h"

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Classes
class	AtomicBasisFunctor< Q >
class	LevelPmap
class	MolecularNuclearChargeDensityFunctor
class	MolecularPotentialFunctor

Macros
#define	NTRANS   8

Functions
double	rsquared (const coordT &r)

Macro Definition Documentation

NTRANS

#define NTRANS   8

Referenced by AtomicBasisFunctor< Q >::AtomicBasisFunctor(), and AtomicBasisFunctor< Q >::operator()().

Function Documentation

rsquared()

double rsquared

(

const coordT &

r

)

Referenced by smoothed_density().