NAMD
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Public Member Functions | |
ComputeFmmSerialMgr () | |
~ComputeFmmSerialMgr () | |
void | setCompute (ComputeFmmSerial *c) |
void | recvCoord (FmmSerialCoordMsg *) |
void | recvForce (FmmSerialForceMsg *) |
Definition at line 77 of file ComputeFmmSerial.C.
ComputeFmmSerialMgr::ComputeFmmSerialMgr | ( | ) |
Definition at line 109 of file ComputeFmmSerial.C.
ComputeFmmSerialMgr::~ComputeFmmSerialMgr | ( | ) |
Definition at line 118 of file ComputeFmmSerial.C.
void ComputeFmmSerialMgr::recvCoord | ( | FmmSerialCoordMsg * | msg | ) |
Definition at line 200 of file ComputeFmmSerial.C.
References Lattice::a_p(), Lattice::b_p(), Lattice::c_p(), ComputeFmmSerialAtom::charge, FmmSerialCoordMsg::coord, COULOMB, endi(), FmmSerialForceMsg::energy, FmmSerialForceMsg::force, ComputeFmmSerialAtom::id, iINFO(), iout, FmmSerialCoordMsg::lattice, Node::molecule, NAMD_die(), FmmSerialCoordMsg::numAtoms, Molecule::numAtoms, PatchMap::Object(), Node::Object(), ComputeFmmSerialAtom::position, Node::simParameters, simParams, FmmSerialCoordMsg::sourceNode, FmmSerialForceMsg::virial, Vector::x, Vector::y, and Vector::z.
void ComputeFmmSerialMgr::recvForce | ( | FmmSerialForceMsg * | msg | ) |
Definition at line 354 of file ComputeFmmSerial.C.
References ComputeFmmSerial::saveResults().
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inline |
Definition at line 82 of file ComputeFmmSerial.C.