Env now has force attribute #229
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jonpvandermause
approved these changes
Aug 27, 2020
flare/gp.py
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| "the covariance matrices are not loaded" | ||
| f"it can take extra long time to recompute" | ||
| f"the covariance matrices are not loade" | ||
| f"dit can take extra long time to recompute" |
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Looks like there's a minor typo here
Codecov Report
@@ Coverage Diff @@
## master #229 +/- ##
==========================================
+ Coverage 54.88% 54.89% +0.01%
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Files 47 47
Lines 10674 10679 +5
==========================================
+ Hits 5858 5862 +4
- Misses 4816 4817 +1
Continue to review full report at Codecov.
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AtomicEnvironments can now get their associated force from the structure they were built from.
Should simplify scripts. I modified one GP function where a force will always be input to the function- making a PR to highlight this change as something most people would find useful in their scripts, as handling forces and environments seperately can get a bit unwieldly.