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Pull requests: JuDFTteam/masci-tools

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Pull requests list

Studentproject18ws
#1 by stefansr-fzj was merged Mar 13, 2019 Loading…
Max5 schema adapations
#7 by janssenhenning was merged Jan 19, 2021 Loading…
Move kkr tests to pytest regressions
#11 by janssenhenning was merged Jan 25, 2021 Loading…
Parse optional attribute defaults enhancement New feature or request parser/fleur Issues related to the file parsers for fleur
#17 by janssenhenning was merged Feb 8, 2021 Loading…
Cache xpath results enhancement New feature or request parser/fleur Issues related to the file parsers for fleur
#18 by janssenhenning was merged Feb 9, 2021 Loading…
Release 0.4.3
#42 by janssenhenning was merged Apr 19, 2021 Loading…
Fixes for matplotlib plotting calls bug Something isn't working visualization Related to the visualization routines
#132 by janssenhenning was merged Mar 9, 2022 Loading…
🚀 Release 0.9.0
#137 by janssenhenning was merged Mar 30, 2022 Loading…
Magn mom now also with exclusion of local and orbital
#231 by RobinHilg was merged Mar 12, 2023 Loading…
Parser tasks modifications
#5 by janssenhenning was merged Jan 5, 2021 Loading…
Use pytest regressions
#9 by janssenhenning was merged Jan 20, 2021 Loading…
Improvements to the KKR parameters and parsers
#13 by PhilippRue was merged May 10, 2021 Loading…
Case insensitive schema dict
#15 by janssenhenning was merged Feb 8, 2021 Loading…
2 tasks done
Make schema dict immutable enhancement New feature or request parser/fleur Issues related to the file parsers for fleur
#19 by janssenhenning was merged Feb 12, 2021 Loading…
Merge input schema into output schema enhancement New feature or request parser/fleur Issues related to the file parsers for fleur
#20 by janssenhenning was merged Feb 12, 2021 Loading…
Crystal field calculation
#22 by janssenhenning was merged Mar 9, 2021 Loading…
2 tasks done
Move aiida-fleur xml_util
#23 by janssenhenning was merged Mar 22, 2021 Loading…
4 tasks done
out.xml Parser Changes
#29 by janssenhenning was merged Mar 22, 2021 Loading…
General HDF5 Reader
#30 by janssenhenning was merged Mar 22, 2021 Loading…
Release 0.4.1
#35 by janssenhenning was merged Apr 1, 2021 Loading…
Release 0.4.2
#36 by janssenhenning was merged Apr 5, 2021 Loading…
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