hybridMC
index
/home/schwitrs/xplor/python/hybridMC.py


 
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 0x7f9b78591ea0> >