i-pi-dev_archive
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lab-cosmo
Development version of i-PI
Because the repository never forgets, it easily bloats with data that is checked in and then removed again. Currently, it has around 220 MB, while the working tree is only...
Following the improvement in i-PI on the side of non-MD feature, a revisiting of the output is needed. Followings are the main point that we should implement. - [ ]...
The time duration of 1 second I was talking about, is the time the force evaluation takes using our driver. I just mentioned this to stress that this is a...
Let's try to gather in this post all the problem regarding the documentation: inconsistency, points that need clarifications... and so on. - [ ] Units of input files(#164): the only...
Let us double check that a dual GPL and MIT license is how we want to release. The beginning of the accepted answer below suggests that having GPL allows derivative...
I propose that we represent the input file structure internally as Python dictionaries (and lists or single values where appropriate). I also think this should be combined with the idea...
I think the tools can be combined, as they do the same thing. The PDB with connectivity is only really needed as a single frame (would be an optional extra...
Work in progress, do not merge. This adds documentation in Sphinx. The idea is to combine both hand-written and automatic documentation to replace the LaTeX manual. If a PDF is...
Title says it all. Once the EXIT file triggers an exit, it should be deleted.
It was a no-op until recently, with no apparent ill effects.