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>