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ondracka / electronic-parsers

Apache License 2.0
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FHIaims smearing #18

Closed SimonKratochvil closed 3 months ago

ondracka commented 3 months ago

@SimonKratochvil thanks for the pull request, I'll review tomorrow. do you still have something else on a todo list or do zou need more tasks? Also please don't merge it manually, that's what I should do after review...

SimonKratochvil commented 3 months ago

I haven't finished FHIaims SCF-T yet, so I think I have plenty other thinks to do taking to the count that I have forgotten to delete some debug-prints. Sorry for the merge – I didn't know you would be able to view changes without it. As you can probably see, some older commits were merged with the current one – that's not something I intended. Could we review that tomorrow?

ondracka commented 3 months ago

Its OK, just opening a PR is enough for review. I'll reset the develop branch to previous state and you than open a new PR. And yeah, we will check it tomorrow.