sundmanbo / XMLTDB

Development of format for Calphad databases
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Contributing to XMLTDB #1

Closed flotang-gtt closed 1 day ago

flotang-gtt commented 7 months ago

Hi Bosse and other contributors,

my name is Florian Tang, you likely know me, as we have met and talked at multiple recent Calphad conferences. I am one of the core developers at GTT. One of my responsibilities is "ConvTDB", a program that allows for TDB databases to be converted into the Fact CDB/SLN/FDB databases.

I am currently implementing the XMLTDB-format at GTT, for its use in ChemApp and potentially more products.

We (at GTT) are very interested at (a) supporting the community in developing the XMLTDB format into a robust and solid format for cooperation and (b) adding extensions for FactSage/ChemApp specific modeling aspects. As I understand it, the to-be-established 'standard' of XMLTDB is meant to be open to specific modifications, however we really want to establish a common ground of thermodynamic databases that is not controlled by a single entity/company.

Having read the documents in this repo, I have several comments, recommendations and questions around the current state of the format. I will try to stick to typical GitHub workflows to communicate about them.

My first contributions will center around fleshing out a more complete concept (e.g. adding gas phase, and contemplating other phase configurations). There are a lot of opinionated choices that can be made in the development of this format (as has been the case with all existing formats, too). As of now, quite a few aspects of the format are very much "informed by TDB" - which in itself is obviously not bad, but there are implicit concepts and ideas that simply aren't as established in GTT's database ecosystem. I will try to indicate those things, so that we can establish a better common format.

I will multiple small issues to address individual topics - and obviously a few pull requests, but I want to highlight that I see a lot of value in discussions about edits without moving ahead too fast.

sundmanbo commented 1 day ago

Thanks, we are working on it