JDFTx  1.4.2
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Blip.h File Reference
#include <core/ScalarField.h>
#include <core/vector3.h>
#include <core/WignerSeitz.h>

Classes

class  BlipConverter
 
class  BlipResampler
 

Functions

double Tblip (const complexScalarField &phi, double *tMax=0, int *i0max=0, int *i1max=0, int *i2max=0)
 Compute the kinetic energy for a blip orbital phi (and set max local KE and location in unit cell)
 
double Vblip (const complexScalarField &phi, const ScalarField &V)
 Compute the local potential energy for blip orbital phi in blip potential V.
 

Detailed Description

3D cubic spline (blip) utilities