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 |