File MultipoleCharge.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

Enums

enum ChargeDistance

Values:

d0

dp1

dm1

dp2

dm2

dps2

dms2

class MultipoleCharge

#include <MultipoleCharge.h>

This class defines an object containing the position and charge of a point charge.

Public Functions

MultipoleCharge()

MultipoleCharge(ChargeDistance dx, ChargeDistance dy, ChargeDistance dz, double c)

Public Members

ChargeDistance x = {ChargeDistance::d0}

ChargeDistance y = {ChargeDistance::d0}

ChargeDistance z = {ChargeDistance::d0}

double q = {0}