BandInfo Struct Reference

Collaboration diagram for BandInfo:

Public Member Functions
	BandInfo ()
	default constructor More...
bool	operator< (BandInfo other) const
	operator to determine the order of any band More...

Public Attributes
int	TwistIndex
	twist index More...
int	BandIndex
	band index More...
int	BandGroup
	band group index More...
int	Spin
	spin index More...
double	Energy
	energy associated with this band More...
bool	MakeTwoCopies
	This is true if we should make distinct copies represeninting a +k, -k pair. More...

Detailed Description

Definition at line 26 of file BandInfo.h.

Constructor & Destructor Documentation

BandInfo()

BandInfo ( )

inline

default constructor

Definition at line 41 of file BandInfo.h.

      : TwistIndex(0), BandIndex(-1), BandGroup(0), Spin(0), Energy(1e9), MakeTwoCopies(false)
  {}

Member Function Documentation

operator<()

bool operator< ( BandInfo  other ) const

inline

operator to determine the order of any band

• energy
• twist index if the energies are similar

Definition at line 50 of file BandInfo.h.

References BandInfo::BandIndex, qmcplusplus::Units::charge::e, BandInfo::Energy, and BandInfo::TwistIndex.

  {
    if ((Energy < other.Energy + 1e-6) && (Energy > other.Energy - 1e-6))
    {
      if (TwistIndex == other.TwistIndex)
        return BandIndex < other.BandIndex;
      else
        return TwistIndex < other.TwistIndex;
    }
    else
      return Energy < other.Energy;
  }

Member Data Documentation

BandGroup

int BandGroup

band group index

Definition at line 33 of file BandInfo.h.

BandIndex

int BandIndex

band index

Definition at line 31 of file BandInfo.h.

Referenced by EinsplineSetBuilder::OccupyBands(), EinsplineSetBuilder::OccupyBands_ESHDF(), BandInfo::operator<(), and qmcplusplus::sortByIndex().

Energy

double Energy

energy associated with this band

Definition at line 37 of file BandInfo.h.

Referenced by EinsplineSetBuilder::OccupyBands(), EinsplineSetBuilder::OccupyBands_ESHDF(), BandInfo::operator<(), and qmcplusplus::sortByIndex().

MakeTwoCopies

bool MakeTwoCopies

This is true if we should make distinct copies represeninting a +k, -k pair.

Definition at line 39 of file BandInfo.h.

Referenced by EinsplineSetBuilder::OccupyBands(), and EinsplineSetBuilder::OccupyBands_ESHDF().

Spin

int Spin

spin index

Definition at line 35 of file BandInfo.h.

Referenced by EinsplineSetBuilder::OccupyBands().

TwistIndex

int TwistIndex

twist index

Definition at line 29 of file BandInfo.h.

Referenced by EinsplineSetBuilder::OccupyBands(), EinsplineSetBuilder::OccupyBands_ESHDF(), BandInfo::operator<(), and qmcplusplus::sortByIndex().

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

• /home/pk7/projects/qmc/for_cron_doxygen/qmcpack/src/QMCWaveFunctions/BandInfo.h