occ
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dimer.h File Reference
#include <ankerl/unordered_dense.h>
#include <occ/core/molecule.h>
#include <optional>
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Classes

class  occ::core::Dimer
 Storage class for relevant information of a dimer (pair) of Molecule objects. More...
 

Namespaces

namespace  occ
 
namespace  occ::core
 fundamental functionality for linear algebra, utilities, molecules and more