Update BlueObeliskData
For some atomic-related values, we use data from the Blue Obelisk Data Repository, specially the elements.xml file. This xml files is converted to a c++ header declaring those variables as arrays.
This updates the source xml and the generated .h
related to : #17791 (comment 701268) see also https://discourse.vtk.org/t/sensible-default-for-covalent-radius/2648/2
Edited by Nicolas Vuaille
Merge request reports
Activity
@mhanwell @allisonvacanti any thought about this ?
added 19 commits
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a41e281b...ce2b2dd1 - 18 commits from branch
vtk:master - f3850d0d - Update BlueObeliskData
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a41e281b...ce2b2dd1 - 18 commits from branch
Errors:
- commit f3850d0d is not allowed because the following files are not formatted according to the 'clang-format' check:
Domains/ParallelChemistry/Testing/Cxx/TestPSimpleBondPerceiver.cxx. Post a comment ending in the lineDo: reformatto rewrite the MR source branch automatically.
Please rewrite commits to fix the errors listed above (adding fixup commits will not resolve the errors) and force-push the branch again to update the merge request.
- commit f3850d0d is not allowed because the following files are not formatted according to the 'clang-format' check:
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