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49 add support for h5md files #71
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I will have a closer look at this but just some initial thoughts:
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JFRudzinski
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…bond list in system 0 atoms section, and moved the bond list creation to atomutils
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I am satisfied now with the current state. you can merge this at will. thanks! |
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@ladinesa I am finally trying to get back to the development of this H5MD-schema-based parser of hdf5 files.
I was wondering if you could take a (brief) initial look at this code (relevant corresponding nomad-lab dev HERE) and also the initial docs that I have been working on H5MD docs just to get an initial sense of what I am trying to do.
From there I think it would be nice to meet with you to discuss further before moving forward. I spoke with Markus about this a bit at the retreat, and we discussed the possibility of this parser being folded into a more general hdf5 parser. In either case, I realize that there are many things that I have done here that are not ideal, since I was more concerned with using this as a platform to define the schema itself. Additionally, with upcoming changes, I would like to discuss the most efficient way to move forward in a timely fashion.