I do understand your points. However, I need it for some debugging purposes.
debug what?
nothing stops you from just computing
with proper numbers and then converting
the result to whatever units you need.
or think about reduced units, where you
basically use internal units of the system.
also, please always copy the list when replying.
thanks,
axel.
Well, I'm doing some coupled atomisitic to continuum modeling. When I
use something like "metal units", the value of continuum stiffness
becomes very small and all continuum values become awkward. So, in the
end, I have to deal with these values either in MD or in continuum. It
is not like I have a simple molecular system and I'm trying to do it
with SI units.
Well, I'm doing some coupled atomisitic to continuum modeling. When I
use something like "metal units", the value of continuum stiffness
becomes very small and all continuum values become awkward. So, in the
end, I have to deal with these values either in MD or in continuum. It
is not like I have a simple molecular system and I'm trying to do it
with SI units.
i repeat what i said: what keeps you from converting
to si units after the fact, i.e. when doing the coupling?
the same argument that you make for the continuum
code can be made for the MD code just as well.
axel.