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ERIs.h File Reference
#include "threecenter.h"
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Go to the source code of this file.
Classes | |
| class | votca::xtp::ERIs |
| Takes a density matrix and and an auxiliary basis set and calculates the electron repulsion integrals. More... | |
Namespaces | |
| namespace | votca |
| Provides a means for comparing floating point numbers. | |
| namespace | votca::xtp |
| Charge transport classes. | |
Macros | |
| #define | VOTCA_XTP_ERIS_H |
