Andrius Merkys

@sauliusg > As I understand, the fractional coordinates were discussed but not yet described. > > Should we make an issue for this? There is already a PR #206 for...

@vaitkus > If I am not mistaken, one of the initial ideas that @merkys had was to provide Hall symbols only for entries with symop sets that are explicitly described...

> Already the current spec, that only has only cartesians, is bad enough. For COD it would have been so much easier to implement OPTIMADE if we could just return...

> How about if someone creates a little survey that asks the general questions that have been discussed and lets us all summarize our positions on them? This is something...

> (I could add that I am a bit concerned over the lack of standardization of the SMARTS language discussed in #368 where it seems one may find different results...

> Right; if these fields are not interoperable - i.e., database A's `filter_smarts` does not really mean the same thing as database B's - is there really a benefit in...

> If we cannot find two people who are invested in getting this merged, it seems highly unlikely that this will be implemented any time soon. If so, I think...

I am starting to think that extending the OPTIMADE Structures representation to adapt it to the whole variety of structures is not attainable (although all my faith lies with the...

> Thank you for your comment. Bio-molecules are indeed quite different from the materials that are currently in the OPTIMADE databases. Apart from the chemical formulas, most of the OPTIMADE...

I think limiting chain name to a single character is too restrictive. However, if the plan is to stay compatible with the PDB format, then it makes sense. > To...