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ondracka / electronic-parsers

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Wien2k: core-hole parsing #17

Open jfrodlova opened 3 months ago

ondracka commented 3 months ago

Hi @jfrodlova , this looks really good. I still need to reread the Wien2k docs to make 100% sure all is OK, but at first glance this looks spot on. We might need to add few more quantities, but right now the inc parsing itself seems complete. Attached is a testcase for this, can you hook it up?

TiN-corehole.zip

ondracka commented 3 months ago

Sorry about the force push to develop, I have some student here also doing a bit of nomad work as well and he was too hasty with a merge button (so I needed to clean it up afterwards). To clean up the mess it caused here, you should probably just backup the c6ae7fe626523d1dc4f5cf04a84b3fcb8c2236d6 somewhere, reset jfrodlova:wien2k_core_hole to ondracka/develop and cherry-pick c6ae7fe626523d1dc4f5cf04a84b3fcb8c2236d6 back?

ondracka commented 2 months ago

Great @jfrodlova I spotted two more minor issues, but with that fixed, you can just directly create a PR upstream.