MADNESS  0.10.1
Classes | Namespaces | Functions
PNOStructures.h File Reference
#include <valarray>
#include <string>
#include <madness/chem/PNOParameters.h>
#include <madness/chem/PNOTensors.h>
#include <madness/world/madness_exception.h>
#include <madness.h>
#include <madness/chem/nemo.h>
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Classes

struct  madness::CISData
 POD for CIS excitation. More...
 
struct  madness::ElectronPairIterator
 
struct  madness::PNOPairs::MemInfo
 
struct  madness::MyTimer
 Timer structure. More...
 
struct  madness::OrbitalIterator
 iterates the third index for pair coupling More...
 
struct  madness::PairEnergies
 POD structure for energies. More...
 
class  madness::ParametrizedExchange
 
struct  madness::PNOPairs
 POD for PNO code. More...
 
struct  madness::valarray_allocator
 

Namespaces

 madness
 File holds all helper structures necessary for the CC_Operator and CC2 class.
 

Functions

double madness::inner (const std::valarray< double > &bra, const std::valarray< double > &ket)
 inner product for std::valarray More...