Official government website icon

Python: module hybridMC

hybridMC

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 0x7f4949c9bdb0> >

Data
		debug = 1 sim = <xplorSimulation.XplorSimulation; proxy of <Swig... of type 'XplorSimulation *' at 0x7f4949c9bdb0> >