#include <madness/mra/mra.h>#include <madness/mra/vmra.h>#include <madness/world/timing_utilities.h>#include <madness/chem/electronic_correlation_factor.h>#include <madness/chem/IntegratorXX.h>#include <random>
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Classes | |
| struct | madness::cartesian_grid< NDIM > |
| class | madness::dftgrid< NDIM > |
| class | madness::gridbase |
| class | madness::LowRankFunction< T, NDIM, LDIM > |
| LowRankFunction represents a hi-dimensional (NDIM) function as a sum of products of low-dimensional (LDIM) functions. More... | |
| class | madness::LowRankFunctionFactory< T, NDIM, LDIM > |
| struct | madness::LowRankFunctionParameters |
| struct | madness::LRFunctorBase< T, NDIM, LDIM > |
| the low-rank functor is what the LowRankFunction will represent More... | |
| struct | madness::LRFunctorF12< T, NDIM, LDIM > |
| struct | madness::LRFunctorPure< T, NDIM, LDIM > |
| class | madness::molecular_grid< NDIM > |
| given a molecule, return a suitable grid More... | |
| struct | madness::particle< PDIM > |
| class | madness::randomgrid< NDIM > |
| grid with random points around the origin, with a Gaussian distribution More... | |
Namespaces | |
| namespace | madness |
| Namespace for all elements and tools of MADNESS. | |
Functions | |
| template<typename T , std::size_t NDIM, std::size_t PDIM> | |
| LowRankFunction< T, NDIM > | madness::inner (const Function< T, NDIM > &f1, const LowRankFunction< T, NDIM > &f2, const particle< PDIM > p1, const particle< PDIM > p2) |
| lrf(1,3) = inner(full(1,2), lrf(2,3)) | |
| template<typename T , std::size_t NDIM> | |
| double | madness::inner (const LowRankFunction< T, NDIM > &a, const LowRankFunction< T, NDIM > &b) |
| template<typename T , std::size_t NDIM, std::size_t PDIM> | |
| LowRankFunction< T, NDIM > | madness::inner (const LowRankFunction< T, NDIM > &f1, const Function< T, NDIM > &f2, const particle< PDIM > p1, const particle< PDIM > p2) |
| lrf(1,3) = inner(lrf(1,2), full(2,3)) | |
| template<typename T , std::size_t NDIM, std::size_t PDIM> | |
| Function< T, NDIM > | madness::inner (const LowRankFunction< T, NDIM > &f1, const Function< T, PDIM > &f2, const particle< PDIM > p1, const particle< PDIM > p2=particle< PDIM >::particle1()) |
| f(1) = inner(lrf(1,2), f(2)) | |
| template<typename T , std::size_t NDIM, std::size_t PDIM> | |
| LowRankFunction< T, NDIM > | madness::inner (const LowRankFunction< T, NDIM > &f1, const LowRankFunction< T, NDIM > &f2, const particle< PDIM > p1, const particle< PDIM > p2) |
| lrf(1,3) = inner(lrf(1,2), lrf(2,3)) | |
| template<typename T , std::size_t NDIM, std::size_t PDIM> | |
| std::vector< Function< T, NDIM-PDIM > > | madness::inner (const LowRankFunction< T, NDIM > &f1, const std::vector< Function< T, PDIM > > &vf, const particle< PDIM > p1, const particle< PDIM > p2=particle< PDIM >::particle1()) |
| f(1) = inner(lrf(1,2), f(2)) | |
| template<std::size_t PDIM> | |
| std::ostream & | madness::operator<< (std::ostream &os, const particle< PDIM > &p) |
