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 (  ) 

References aoMap, bisPermuted, and pattern.


Member Data Documentation

int* XCEvaluator::aoMap [protected]

Referenced by XCEvaluator().

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

Referenced by XCEvaluator().

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 10 Jul 2018 for ergo by  doxygen 1.6.1