energy_qe#125
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try to build docs automatically by actions
Merge new features to master
support for pwmat
No way to pass parameter "md" in gaussian/log
fix the bug when the energy has shape ()
merge the development on the devel branch into master
fix bug of install gromacs
merge devel into master
Fix bug of append systems with different formula
new_energy
Codecov Report
@@ Coverage Diff @@
## devel #125 +/- ##
==========================================
- Coverage 85.74% 84.22% -1.53%
==========================================
Files 28 28
Lines 3452 3296 -156
==========================================
- Hits 2960 2776 -184
- Misses 492 520 +28
Continue to review full report at Codecov.
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amcadmus
approved these changes
Feb 4, 2021
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