#include <madness/madness_config.h>#include <madness/constants.h>#include <chem/molecule.h>#include <chem/atomutil.h>#include <madness/tinyxml/tinyxml.h>#include <madness/tensor/tensor.h>#include <vector>#include <algorithm>#include <iostream>#include <sstream>#include <iomanip>#include <cstdio>
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Classes | |
| class | madness::ContractedGaussianShell |
| Represents a single shell of contracted, Cartesian, Gaussian primitives. More... | |
| class | madness::AtomicBasis |
| Represents multiple shells of contracted gaussians on a single center. More... | |
| class | madness::AtomicBasisFunction |
| Used to represent one basis function from a shell on a specific center. More... | |
| class | madness::AtomicBasisSet |
| Contracted Gaussian basis. More... | |
| class | madness::AtomicBasisSet::AnalysisSorter< T > |
Namespaces | |
| madness | |
| Holds machinery to set up Functions/FuncImpls using various Factories and Interfaces. | |
