H5OrbSet Struct Reference

construct a name for spline SPO set More...

Collaboration diagram for H5OrbSet:

Public Member Functions
bool	operator() (const H5OrbSet &a, const H5OrbSet &b) const
	true if a < b More...
	H5OrbSet (std::filesystem::path name, int spinSet, int numOrbs)
	H5OrbSet ()=default

Public Attributes
int	SpinSet
	index for the spin set More...
int	NumOrbs
	number of orbitals that belong to this set More...
std::filesystem::path	FileName
	name of the HDF5 file More...

Detailed Description

construct a name for spline SPO set

Definition at line 78 of file EinsplineSetBuilder.h.

Constructor & Destructor Documentation

H5OrbSet() [1/2]

H5OrbSet ( std::filesystem::path  name, int  spinSet, int  numOrbs  )

inline

Definition at line 106 of file EinsplineSetBuilder.h.

      : SpinSet(spinSet), NumOrbs(numOrbs), FileName(std::move(name))
  {}

H5OrbSet() [2/2]

H5OrbSet ( )

default

Member Function Documentation

operator()()

bool operator() ( const H5OrbSet &  a, const H5OrbSet &  b  ) const

inline

true if a < b

The ordering

• name
• spin set
• number of orbitals

Definition at line 93 of file EinsplineSetBuilder.h.

References H5OrbSet::FileName, H5OrbSet::NumOrbs, and H5OrbSet::SpinSet.

  {
    if (a.FileName == b.FileName)
    {
      if (a.SpinSet == b.SpinSet)
        return a.NumOrbs < b.NumOrbs;
      else
        return a.SpinSet < b.SpinSet;
    }
    else
      return a.FileName < b.FileName;
  }

Member Data Documentation

FileName

std::filesystem::path FileName

name of the HDF5 file

Definition at line 85 of file EinsplineSetBuilder.h.

Referenced by H5OrbSet::operator()().

NumOrbs

int NumOrbs

number of orbitals that belong to this set

Definition at line 83 of file EinsplineSetBuilder.h.

Referenced by H5OrbSet::operator()().

SpinSet

int SpinSet

index for the spin set

Definition at line 81 of file EinsplineSetBuilder.h.

Referenced by H5OrbSet::operator()().

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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/BsplineFactory/EinsplineSetBuilder.h