The removal of the user-tabulated non-bonded interactions with the removal of the group scheme has left quite a few users with the options to keep using the 2018 or switch simulation package. Thus this is a rather important issue.
We need to have a technical review for this code. Gregory will shortly present the features of this MR and the code organization. We need to decide which are the minimum features required and which can be added later. We also need to decide whether the current organization of the code is suitable. And Gregory wants feedback on one technical issue.
I think we should allocate three hours for this, but hopefully we can do it in less time, I would suggest a time next week, August 10-14. I can also do the week after. I am available most of the time.
Who is willing to participate? And what is your avaibility next week (or the week after)?
I should be available on those dates on Zoom, but don’t know if I could make it to Stockholm for an in person meeting. I would like to participate and can also be available for review afterwards.
Hi! I have some availability the next two weeks, but it’s quite spotty. A poll would help pick the time. On the length: I’d prefer (and suggest) keeping the meeting shorter rather than taking a whole afternoon.
This week’s relevant time-slots are quite full I realize, I might be able to Join Wed after 15:00 but I can’t promise. Next week, 21st 14:00 could work. However, since that might delay things quite a bit and there seem to be others who can attend, I suggest to schedule it whenever works best for others.
Thanks to everybody who participated in the meeting.
Key takeaways:
The Draft MR will be split into parts, roughly in line with how the materials are split.
Besides the changes mentioned in the presentation, no major changes to the functionality will be introduced. Some minor ITP/MDP syntax and TPR format adjustments are likely.