Aoife Catherine Fogarty

@AlanDunaway Sounds like you have the same issue I described here #927 I described the fix/work-around at the same link. Basically you need to select Portuguese or any other non-English...

I had this error when trying to export a note containing other notes embedded as [[other-note]] and the error disappeared when I switched to ![[other-note]]

Hi Eduardo, The RATTLE algorithm as implemented in espressopp only works if all the heavy and light atoms in a group of rigid bonds are on the same node. One...

@fedepad I asked a similar question on the developer mailing list back when we were using that (basically did anyone ever really use/test this and what is it for, beside...

They are "testing" some functions/interfaces, at least just for whether it runs without crashing. Another option would be to delete the slowest parts of the scripts, all the file I/O....

@junghans Looks like pi_water already runs for only one time step. @fedepad I think that doing anything to speed up psfwrite is not worth the effort. PSF files only contain...

@niktre What do you mean by reproducible, exactly? If a unit test isn't reproducible, then it will always fail, right? And that will make it useless as a unit test.

Some of the existing unit tests are pretty slow (pi_water and polymer_melt_tabulated are 30-40 seconds each). Moreover they don't seem to actually test for anything except "runs for N steps...

When I first started writing unit tests for recent commits, my main confusion was that half the stuff in the testsuite didn't seem to actually BE unit tests... Now I...