Csse pyd2 modernize compute function #455
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more tests fix import and checks fix typo try xtb xtb and mrchem sdftd3 more tests few fixes? test_programs all but stdsuite stdsuite fix alignment tests docker and prop docker docker2 docker3 docker4 docker5 docker6 docker7 docker8 back and np fixed tidy up
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currently atop #454
Description
computefns and user interface to handle multiple schema versions. this replaces some of checkver_and_convert's responsibilitiesChangelog description
Status