Scine::Sparrow
5.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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#include "PM6DiatomicParameters.h"
#include <Utils/Geometry/ElementInfo.h>
#include <Utils/Geometry/ElementTypes.h>
#include <Utils/Scf/MethodExceptions.h>
#include <algorithm>
#include <array>
#include <cassert>
#include <memory>
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Classes | |
class | Scine::Sparrow::nddo::ElementPairParameters |