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bug fixes of gw2wannier90.py & k_mapper.py #294
bug fixes of gw2wannier90.py & k_mapper.py #294
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Codecov Report
@@ Coverage Diff @@
## develop #294 +/- ##
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Coverage 65.6% 65.6%
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Files 29 29
Lines 17938 17938
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Hits 11768 11768
Misses 6170 6170 Continue to review full report at Codecov.
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@AntimoMarrazzo @stepan-tsirkin could you give a look to this PR and confirm that for you it's ok? Thanks! |
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It has been a while since I wrote the code, and I have not used it almost since then. The changes look correct, and I believe that Junfeng tested the script. I agree that there was a bug in writing spn file.
Thank you for fixing the bug and decorating the script. I am glad that my old script has its own life.
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OK to merge.
bug fixes of gw2wannier90.py & k_mapper.py
This pull request contains:
gw2wannier90.py
when transformingspn
file, originally proposed in Issue in formatted spn format #293gw2wannier90.py
&k_mapper.py
to python 3 syntax.yapf
write_formatted
to select whether to output formatted or unformatted files when the input files are unformattedUNK
filesHave been tested on example23 with and without spin-orbit coupling, works fine on both formatted & unformatted
spn
,uHu
,uIu
, andUNK
files, and non-collinearUNK
files.