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df_packed_store.h File Reference
#include <limits>
#include <occ/core/linear_algebra.h>
#include <occ/qm/coulomb_metric.h>
#include <occ/qm/integral_engine.h>
#include <vector>
Include dependency graph for df_packed_store.h:
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Classes

class  occ::qm::PackedDFStore
 Three-centre integrals (μν|P) over the screened canonical shell pairs (q <= p, as IntegralEngine::shellpairs()), packed: one contiguous np x nq block per stored shell pair, every auxiliary function a column. More...
struct  occ::qm::PackedDFStore::Block

Namespaces

namespace  occ
namespace  occ::qm
 quantum mechanics/quantum chemistry functionality including Hartree-Fock and more