DispersionC6Parameters.h

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#ifndef MOLECULARMECHANICS_DISPERSIONC6PARAMETERS_H
#define MOLECULARMECHANICS_DISPERSIONC6PARAMETERS_H

namespace Scine {

namespace Utils {
class AtomCollection;
} // namespace Utils

namespace MolecularMechanics {
class SfamParameters;
class AtomTypesHolder;

namespace DispersionC6Parameters {

void fillC6MatrixForCurrentStructure(SfamParameters& parameters, const Utils::AtomCollection& structure,
                                     const AtomTypesHolder& atomTypes);

} // namespace DispersionC6Parameters
} // namespace MolecularMechanics
} // namespace Scine

#endif // MOLECULARMECHANICS_DISPERSIONC6PARAMETERS_H