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