hybridMC
index
hybridMC.py


 
mixed Monte-Carlo molecular dynamics minimization
 
Note: untested!

 
Functions
       
exp(...)

 
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(...)

 
sqrt(x)
 
Return the square root of x.

 
Data
        __package__ = None
debug = 1
sim = <C XplorSimulation instance at _b036cc0100000000_p_XplorSimulation>