OpenAtom  Version1.5a
AtomsCompute Member List

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)AtomsComputeinline
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)AtomsComputeinline
copySlowToFast() (defined in AtomsCompute)AtomsComputeinline
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)AtomsComputeinline
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)AtomsComputeinline
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)AtomsComputeinline
vbgr (defined in AtomsCompute)AtomsCompute
vself (defined in AtomsCompute)AtomsCompute
zeroforces() (defined in AtomsCompute)AtomsComputeinline
zeronhc() (defined in AtomsCompute)AtomsComputeinline
~AtomsCompute()AtomsCompute