PNO.h File Reference

#include <madness/chem/PNOF12Potentials.h>
#include <madness/world/worldmem.h>
#include <madness/chem/CC2.h>
#include <madness/chem/QCPropertyInterface.h>
#include <madness/chem/molecule.h>
#include <madness/chem/PNOTensors.h>

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Classes
class	madness::PNO

Namespaces
namespace	madness
	Namespace for all elements and tools of MADNESS.

Macros
#define	PAIRLOOP(it)   for(ElectronPairIterator it=pit();it;++it)
#define	TIMER(timer)   MyTimer timer=MyTimer(world).start();

Functions
std::vector< std::string >	madness::cubefile_header (std::string filename="input", const bool &no_orient=false)

Macro Definition Documentation

PAIRLOOP

#define PAIRLOOP

(

it

)

for(ElectronPairIterator it=pit();it;++it)

TIMER

#define TIMER

(

timer

)

MyTimer timer=MyTimer(world).start();