hybridMC
index
mixed Monte-Carlo molecular dynamics minimization
Note: untested!
Functions
exp
(x, /)
Return e raised to the power of x.
maxwellDist
(temp, mass)
mc
(ivm, temp, numMCSteps, targetAcceptRatio=0.5)
given an
ivm
.IVM setup for dynamics, perform the specified number
of Monte-Carlo steps.
The targetAcceptRatio argument is used to update the ivm's finalTime
value for a possible subsequent call to this function.
printMem
(label='')
sqrt
(x, /)
Return the square root of x.
Data
debug
= 1
sim
= <xplorSimulation.XplorSimulation; proxy of <Swig... of type 'XplorSimulation *' at 0x7f2b07f63db0> >