OpenMD 3.1
Molecular Dynamics in the Open
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Public Member Functions | |
MultipoleAdapter (AtomType *AT) | |
void | makeMultipole (Vector3d dipole, Mat3x3d quadrupole, bool isDipole, bool isQuadrupole) |
bool | isMultipole () |
bool | isDipole () |
bool | isQuadrupole () |
Vector3d | getDipole () |
Mat3x3d | getQuadrupole () |
Definition at line 65 of file MultipoleAdapter.hpp.
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inline |
Definition at line 67 of file MultipoleAdapter.hpp.
Vector3d OpenMD::MultipoleAdapter::getDipole | ( | ) |
Definition at line 111 of file MultipoleAdapter.cpp.
Mat3x3d OpenMD::MultipoleAdapter::getQuadrupole | ( | ) |
Definition at line 116 of file MultipoleAdapter.cpp.
bool OpenMD::MultipoleAdapter::isDipole | ( | ) |
Definition at line 96 of file MultipoleAdapter.cpp.
bool OpenMD::MultipoleAdapter::isMultipole | ( | ) |
Definition at line 54 of file MultipoleAdapter.cpp.
bool OpenMD::MultipoleAdapter::isQuadrupole | ( | ) |
Definition at line 103 of file MultipoleAdapter.cpp.
void OpenMD::MultipoleAdapter::makeMultipole | ( | Vector3d | dipole, |
Mat3x3d | quadrupole, | ||
bool | isDipole, | ||
bool | isQuadrupole ) |
Definition at line 121 of file MultipoleAdapter.cpp.