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JdftxInputGenerator works from added BaseJdftxSet.yaml #5

Merged

cote3804 merged 1 commit into jdft_sets from jdftx_parsers

Aug 6, 2024

Owner

cote3804 commented Aug 6, 2024

Summary

Got JdftxInputGenerator working in a base state. Reads from

Default inputs written in BaseJdftxSet.yaml * JdftxInputGenerator written and get_input_set method works

TODO

Allow Structure inputs to input generator
Convert structures to JDFTXInfile format
Write core set generator child classes


          JdftxInputGenerator works from added BaseJdftxSet.yaml

a39a4ea

Owner Author

cote3804 commented Aug 6, 2024

LGTM

cote3804 merged commit d8b692c into jdft_sets

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