XCEvaluator Class Reference

Inheritance diagram for XCEvaluator:

XCEvaluatorRestricted XCEvaluatorUnrestricted List of all members.

Public Member Functions

 XCEvaluator (const BasisInfoStruct &bisOrig_, const IntegralInfo &integralInfo_, const Molecule &mol_, const Dft::GridParams &gss_, std::vector< int > const &permutationHML_, const symmMatrix &dens)
 ~XCEvaluator ()

Protected Attributes

const BasisInfoStructbisOrig
const IntegralInfointegralInfo
const Moleculemol
const Dft::GridParamsgss
std::vector< int > const & permutationHML
int * aoMap
BasisInfoStructbisPermuted
Dft::SparsePattern * pattern

Constructor & Destructor Documentation

XCEvaluator::XCEvaluator ( const BasisInfoStruct bisOrig_,
const IntegralInfo integralInfo_,
const Molecule mol_,
const Dft::GridParams gss_,
std::vector< int > const &  permutationHML_,
const symmMatrix dens 
)

XCEvaluator::~XCEvaluator (  ) 


Member Data Documentation

int* XCEvaluator::aoMap [protected]

const BasisInfoStruct& XCEvaluator::bisOrig [protected]

BasisInfoStruct* XCEvaluator::bisPermuted [protected]

const Dft::GridParams& XCEvaluator::gss [protected]

const IntegralInfo& XCEvaluator::integralInfo [protected]

const Molecule& XCEvaluator::mol [protected]

Dft::SparsePattern* XCEvaluator::pattern [protected]

std::vector<int> const& XCEvaluator::permutationHML [protected]


The documentation for this class was generated from the following file:
Generated on Mon Sep 17 14:32:58 2012 for ergo by  doxygen 1.4.7