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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 ( )

References aoMap, bisPermuted, and pattern.


Member Data Documentation

const BasisInfoStruct& XCEvaluator::bisOrig
protected

Referenced by XCEvaluator().

BasisInfoStruct* XCEvaluator::bisPermuted
protected
const Dft::GridParams& XCEvaluator::gss
protected
const IntegralInfo& XCEvaluator::integralInfo
protected

Referenced by XCEvaluator().

const Molecule& XCEvaluator::mol
protected

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