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OpenAtom
Version1.5a
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This is the complete list of members for AtomsCompute, including all inherited members.
| accept_PIMD_CM(AtomXYZMsg *m) (defined in AtomsCompute) | AtomsCompute | |
| accept_PIMD_Fu(double _fxu, double _fyu, double _fzu, int atomI) | AtomsCompute | |
| accept_PIMD_Fu_and_u(double _fxu, double _fyu, double _fzu, double _xu, double _yu, double _zu, int atomI) | AtomsCompute | |
| accept_PIMD_u(double _ux, double _uy, double _uz, int atomI) | AtomsCompute | |
| accept_PIMD_x(double _x, double _y, double _z, int atomI) | AtomsCompute | |
| acceptAtoms(AtomMsg *) | AtomsCompute | |
| acceptCountfu (defined in AtomsCompute) | AtomsCompute | |
| acceptCountu (defined in AtomsCompute) | AtomsCompute | |
| acceptCountX (defined in AtomsCompute) | AtomsCompute | |
| acceptNewTemperature(double temp) (defined in AtomsCompute) | AtomsCompute | |
| amBeadRoot (defined in AtomsCompute) | AtomsCompute | |
| amZerothBead (defined in AtomsCompute) | AtomsCompute | |
| atoms (defined in AtomsCompute) | AtomsCompute | |
| atomsCMrecv (defined in AtomsCompute) | AtomsCompute | |
| AtomsCompute(CkMigrateMessage *m) (defined in AtomsCompute) | AtomsCompute | inline |
| AtomsCompute(int, int, int, int, int, int, int, double, Atom *, AtomNHC *, int nChareAtoms, UberCollection thisInstance) | AtomsCompute | |
| atomsDone(CkReductionMsg *) (defined in AtomsCompute) | AtomsCompute | |
| atomsNHC (defined in AtomsCompute) | AtomsCompute | |
| atomsPIMDXrecv (defined in AtomsCompute) | AtomsCompute | |
| bcastAtomsToAtomCache() | AtomsCompute | |
| beta (defined in AtomsCompute) | AtomsCompute | |
| contribMsg (defined in AtomsCompute) | AtomsCompute | |
| copyFastToSlow() (defined in AtomsCompute) | AtomsCompute | inline |
| copySlowToFast() (defined in AtomsCompute) | AtomsCompute | inline |
| countAtm (defined in AtomsCompute) | AtomsCompute | |
| cp_min_opt (defined in AtomsCompute) | AtomsCompute | |
| cp_wave_opt (defined in AtomsCompute) | AtomsCompute | |
| eKinetic (defined in AtomsCompute) | AtomsCompute | |
| eKineticNhc (defined in AtomsCompute) | AtomsCompute | |
| fastAtoms (defined in AtomsCompute) | AtomsCompute | |
| ftot (defined in AtomsCompute) | AtomsCompute | |
| handleForces() | AtomsCompute | |
| handleForcesCount (defined in AtomsCompute) | AtomsCompute | |
| iextended_on (defined in AtomsCompute) | AtomsCompute | |
| init() | AtomsCompute | |
| initPIMD() (defined in AtomsCompute) | AtomsCompute | inline |
| integrateAtoms() | AtomsCompute | |
| isokin_opt (defined in AtomsCompute) | AtomsCompute | |
| iteration (defined in AtomsCompute) | AtomsCompute | |
| kT (defined in AtomsCompute) | AtomsCompute | |
| ktemps (defined in AtomsCompute) | AtomsCompute | |
| len_nhc (defined in AtomsCompute) | AtomsCompute | |
| massPIMDScal (defined in AtomsCompute) | AtomsCompute | |
| natm (defined in AtomsCompute) | AtomsCompute | |
| natm_nl (defined in AtomsCompute) | AtomsCompute | |
| nAtmMsgRecv (defined in AtomsCompute) | AtomsCompute | |
| nAtomsPerChare (defined in AtomsCompute) | AtomsCompute | |
| nChareAtoms (defined in AtomsCompute) | AtomsCompute | |
| numPIMDBeads (defined in AtomsCompute) | AtomsCompute | |
| omega2PIMD (defined in AtomsCompute) | AtomsCompute | |
| outputAtmEnergy() | AtomsCompute | |
| PIBeadIndex (defined in AtomsCompute) | AtomsCompute | |
| PIMD_CM_Atoms (defined in AtomsCompute) | AtomsCompute | |
| pot_ewd_rs (defined in AtomsCompute) | AtomsCompute | |
| potNhc (defined in AtomsCompute) | AtomsCompute | |
| potPerdCorr (defined in AtomsCompute) | AtomsCompute | |
| potPIMDChain (defined in AtomsCompute) | AtomsCompute | |
| proxyAllBeads (defined in AtomsCompute) | AtomsCompute | |
| proxyHeadBeads (defined in AtomsCompute) | AtomsCompute | |
| px (defined in AtomsCompute) | AtomsCompute | |
| recvContribute(CkReductionMsg *) | AtomsCompute | |
| recvContributeForces(CkReductionMsg *) | AtomsCompute | |
| releaseGSP() (defined in AtomsCompute) | AtomsCompute | |
| send_PIMD_Fx() | AtomsCompute | |
| send_PIMD_Fx_and_x() | AtomsCompute | |
| send_PIMD_u() | AtomsCompute | |
| send_PIMD_x() | AtomsCompute | |
| sendAtoms(double, double, double, double, int, int, int) | AtomsCompute | |
| startRealSpaceForces() | AtomsCompute | |
| switchPIMDBeadForceMass(int mybead, int natmStr, int natmEnd, double *pot) (defined in AtomsCompute) | AtomsCompute | inline |
| tau (defined in AtomsCompute) | AtomsCompute | |
| TemperIndex (defined in AtomsCompute) | AtomsCompute | |
| temperScreenFile (defined in AtomsCompute) | AtomsCompute | |
| thisInstance (defined in AtomsCompute) | AtomsCompute | |
| unswitchPIMDMass(int mybead, int natmStr, int natmEnd) (defined in AtomsCompute) | AtomsCompute | inline |
| vbgr (defined in AtomsCompute) | AtomsCompute | |
| vself (defined in AtomsCompute) | AtomsCompute | |
| zeroforces() (defined in AtomsCompute) | AtomsCompute | inline |
| zeronhc() (defined in AtomsCompute) | AtomsCompute | inline |
| ~AtomsCompute() | AtomsCompute |