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Basis Class Reference

Wavefunction basis. More...

#include <Basis.h>

Public Member Functions

 Basis (const Basis &)
 copy by reference
 
Basisoperator= (const Basis &)
 copy by reference
 
void setup (const GridInfo &gInfo, const IonInfo &iInfo, double Ecut, const vector3<> k)
 Setup the indices and integer G-vectors within Ecut for kpoint k.
 
void setup (const GridInfo &gInfo, const IonInfo &iInfo, const std::vector< int > &indexVec)
 Create a custom basis with an arbitrary indexing scheme.
 

Public Attributes

const GridInfogInfo
 pointer to the grid specs
 
const IonInfoiInfo
 pointer to the ion information (basis is conceptually ultrasoft-pseudopotential dependent)
 
size_t nbasis
 number of basis elements (i.e. G-vectors)
 
IndexVecArray iGarr
 
IndexArray index
 
std::vector< int > head
 short list of low G basis locations (used for phase fixing)
 

Detailed Description

Wavefunction basis.


The documentation for this class was generated from the following file: