Scine::Sparrow  5.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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DipoleMomentCalculator.h
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1 
8 #ifndef SPARROW_DIPOLEMOMENTCALCULATOR_H
9 #define SPARROW_DIPOLEMOMENTCALCULATOR_H
10 
11 #include <Utils/Typenames.h>
12 
13 namespace Scine {
14 namespace Sparrow {
15 
20 class DipoleMomentCalculator {
21  public:
22  virtual Eigen::RowVector3d calculate() const = 0;
23  virtual ~DipoleMomentCalculator() = default;
24 };
25 
26 } // namespace Sparrow
27 } // namespace Scine
28 
29 #endif // SPARROW_DIPOLEMOMENTCALCULATOR_H
Scine::Sparrow::DipoleMomentCalculator
Interface for the calculation of the electrical dipole moment in a semiempirical method.
Definition: DipoleMomentCalculator.h:20