Workflow implementation for a new code: Where to start

[Maja]

Dear folks,

I am thinking about using Fireworks for FHIaims. I have already played around with custodian for error handling. Now I am wondering where the best starting point for an implementation would be. Should I directly work with Fireworks or is it worth starting with atomate (or MPWorks) first to see how things can go together? I am not sure how flexible atomate is or if it is even too complex just to play and try.
Any suggestions?

Best,
Maja

[Shyue Ping]

Starting from the standard workflows in atomate would be the best way to start.

--
You received this message because you are subscribed to the Google Groups "Materials Project Development Group" group.
To unsubscribe from this group and stop receiving emails from it, send an email to matproj-devel...@googlegroups.com.
To post to this group, send email to matproj...@googlegroups.com.
Visit this group at https://groups.google.com/group/matproj-develop.