File ChargesInMultipoles.h

Copyright

This code is licensed under the 3-clause BSD license.

Copyright ETH Zurich, Laboratory for Physical Chemistry, Reiher Group.

See LICENSE.txt for details.

namespace Scine

namespace Sparrow

namespace nddo

namespace multipole

class ChargesInMultipoles

#include <ChargesInMultipoles.h>

This class defines the point charges of the different multipole.

Public Types

using MultipoleCharges = std::vector<MultipoleCharge>

using MultipoleChargesArray = std::array<MultipoleCharges, 13>

Public Static Functions

static const std::vector<MultipoleCharge> &getChargeConfiguration(multipole_t t)

Private Static Functions

static MultipoleChargesArray createChargeConfigurations()