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Re: Periodic simulations (continued)

 


(1) "It is believed that the first method is generally more convenient,
since it will let  :yref:`Cell.trsf` reflect only the transformation
produced during the simulation, independently of the initial period
geometry."
"it is believed": who? "We believe" perhaps would be better, no? Or just that "We chose the first method..."

For the sake of consistency (Cell, O.cell &c), I would say "cell geometry", not "period geometry". (The same sub 2.)
(2) "In all cases, the period geometry should not be modified during a
simulation, be it via Hsize, trsf, or refSize. The velocity gradient
:yref:`Cell.velGrad` is the only variable that let the period
deformation be correctly accounted for in constitutive laws and Newton
integrator"

Side comment on (1) : it will need to change the behaviour of setTrsf
one day if we really want to uncouple trsf and Hsize. For instance, one
could like to type trsf=identity after a deformation process (i.e. after
some iterations) in order to set the current state as the reference for
further deformation. It should have no effect on Hsize. Currently, it
would mess the simulation big time.

For (2), am I too restrictive?
I think it is better to say how it works than that it would "mess the simulation big time". There is naturally a question whether assigning trsf should change hSize or not, as you say.

1. One view is that if assigning trsf would just change the cummulated deformation (and refSize as well, of course, but not hSize), without changing geometry at all; going this way will make it more difficult to set the geometry based on a transformation matrix (not very difficult, though).

2. The opposite view is that trsf expresses transformation WRT the reference state, therefore changing trsf should change the geometry as well (current behavior).

In both cases moreover, refSize must be kept in sync with the reference hSize column norms. Nothing conclusive from my side whether 1. or 2. should be preferred. Perhaps others can give their opinions?

v.





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