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args: add init_bulk_jdata_arginfo
and init_surf_jdata_arginfo
#936
args: add init_bulk_jdata_arginfo
and init_surf_jdata_arginfo
#936
Conversation
add parameters of init_bulk and init_surf into arginfo, examples `ch4.json` and `surf.json` are add into check list.
I am not familiar with these modules as well. You may request other contributors' reviews. |
Also, they should be added to the documentation. |
As with "atom_masses", ABACUS needs to be fed with an atomic mass list when generating supercells, because the |
Codecov ReportBase: 38.16% // Head: 38.35% // Increases project coverage by
Additional details and impacted files@@ Coverage Diff @@
## devel #936 +/- ##
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+ Coverage 38.16% 38.35% +0.19%
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Files 99 99
Lines 17885 17947 +62
==========================================
+ Hits 6825 6884 +59
- Misses 11060 11063 +3
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. |
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Can you add the parameter document?
Do you need help? |
Sorry for missing the message. Isn't parameter document added in |
Refer |
Adding TOC? |
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best wishes to your endeavors
Thank you for your comprehensive review and suggestions! |
Arginfo and two examples on
init
have been updated. But there are still a few problems.al.json
belong to? Should "stages" be added into it?from_poscar
is True?