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Fortran spg get symmetry with site tensors #216
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Fortran spg get symmetry with site tensors #216
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Codecov ReportBase: 64.00% // Head: 64.00% // No change to project coverage 👍
Additional details and impacted files@@ Coverage Diff @@
## develop #216 +/- ##
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Coverage 64.00% 64.00%
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Files 18 18
Lines 1328 1328
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Hits 850 850
Misses 478 478 Help us with your feedback. Take ten seconds to tell us how you rate us. Have a feature suggestion? Share it here. ☔ View full report at Codecov. |
No test though... |
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With my little Fortran experience, I am not qualified to review this PR......
At least the new inputs with_time_reversal
and is_axial
seem to be correctly added.
Thanks, thanks. |
Sorry i didn't catch it in time, but you should make aliases of the functions and deprecate them when you change the api like that. Probably there's a similar issue with the C part we should check (more familiar with deprecating on C side tbh). Thankfully you can map it to a different function with |
Thanks @LecrisUT for your comment. Fortran support of spglib is fairly weak. I'm not familiar with it but no maintainer. This PR is a fix of the fortran wrapper. This function in C was changed at v2 from v1, but the fortran wrapper was not updated following the change. I'm not also good at those stuff like deprecating manner. Could you tell me a little bit more in detail? I also have to make the fortran wrapper of new functions made at v2. So your information is helpful. |
I didn't know this was part of the major release change. In that case I think it would be fine. Normally, especially between minor version changes, when you need to change an api function you would:
Of course, you can have various variants on these depending on the specific change made Since the original project was not setup with these in mind it is ok for the v2 major version change to be a bit more loose while converging to flow you feel more comfortable. |
Thanks @LecrisUT for your detailed information. It may be difficult to follow the ideal way, but we will try to do the best. |
Update of Fortran wrapper.
Because I applied fprettify to
spglib_f08.f90
, the most of lines were changed. However the real change is found at ac6a4fb.Doxygen comment of
spn_get_operations_with_site_tensors
inspin.c
is moved to that inspin.h
.