Update {Elastic,run,surf,Vasp,vasp}.py: To be compatible with Pymatgen #1302
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Compatible with Pymatgen>=2023.7.12 Signed-off-by: Levi Zhou <[email protected]>
njzjz
requested changes
Aug 4, 2023
Signed-off-by: Levi Zhou <[email protected]>
for more information, see https://pre-commit.ci
To be compatible with Pymatgen Signed-off-by: Levi Zhou <[email protected]>
To be compatible with Pymatgen Signed-off-by: Levi Zhou <[email protected]>
To be compatible with Pymatgen Signed-off-by: Levi Zhou <[email protected]>
To be compatible with Pymatgen Signed-off-by: Levi Zhou <[email protected]>
To be compatible with Pymatgen Signed-off-by: Levi Zhou <[email protected]>
Signed-off-by: Levi Zhou <[email protected]>
Signed-off-by: Levi Zhou <[email protected]>
Signed-off-by: Levi Zhou <[email protected]>
Signed-off-by: Levi Zhou <[email protected]>
Signed-off-by: Levi Zhou <[email protected]>
Signed-off-by: Levi Zhou <[email protected]>
Signed-off-by: Levi Zhou <[email protected]>
Signed-off-by: Levi Zhou <[email protected]>
Signed-off-by: Levi Zhou <[email protected]>
ZhouXY-PKU
changed the title
Thanks for your review! I think the minimal version in requirements is already bumped now. |
|
Please fix the UTs. Thanks |
Signed-off-by: Levi Zhou <[email protected]>
for more information, see https://pre-commit.ci
Signed-off-by: Levi Zhou <[email protected]>
Signed-off-by: Levi Zhou <[email protected]>
Signed-off-by: Levi Zhou <[email protected]>
Signed-off-by: Levi Zhou <[email protected]>
Sorry that there have been some mistakes. I think it can work now. |
Codecov ReportPatch coverage:
Additional details and impacted files@@ Coverage Diff @@
## devel #1302 +/- ##
==========================================
- Coverage 47.79% 47.75% -0.05%
==========================================
Files 82 82
Lines 14588 14615 +27
==========================================
+ Hits 6973 6979 +6
- Misses 7615 7636 +21
☔ View full report in Codecov by Sentry. |
Signed-off-by: Levi Zhou <[email protected]>
Signed-off-by: Levi Zhou <[email protected]>
Signed-off-by: Levi Zhou <[email protected]>
Signed-off-by: Levi Zhou <[email protected]>
Signed-off-by: Levi Zhou <[email protected]>
njzjz
approved these changes
Aug 10, 2023
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To be compatible with old and new versions of Pymatgen (materialsproject/pymatgen#3158)