[ESPResSo-devel] [bug #46210] "analyze pressure" affecting simulation

[Axel Arnold]

Update of bug #46210 (project espressomd):

                  Status:                    None => Confirmed              

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Follow-up Comment #1:

Hi all,

the culprit is the LJ-angle interaction, which changes particle forces
directly, rather than returning them. That works for force calculation, but
when you calculate the pressure, your pressure is lacking the LJ-angle
interaction, and your forces are f****ed up. You can get the simulation
working by using the recalc_forces option of integrate, butyo

So, just don’t use that interaction or fix the interaction to behave well
(that is, like any other two-particle interaction).

Best,
Axel


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  <http://savannah.nongnu.org/bugs/?46210>

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