Merge development into master #199
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… into user_interface_refactory
… into user_interface_refactory
… into user_interface_refactory
…up/flare into jon/feature/kernel-edits
stevetorr
reviewed
Jul 7, 2020
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Thanks for making this file @YuuuuXie , a big 'missing link' in our tutorials!
stevetorr
reviewed
Jul 8, 2020
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| with open(screen_out, "w+") as fout: | ||
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…re into feature/yu/var_upper_bound
* Update parameter_helper.py * Update docstrings and augment update kernel method * Update gp.py * Update kernel only updates cutoffs if needed * Adjust docstring * Update parameter_helper.py * Update gp.py * Fix comparison statement * Update gp.py * update arguments and unit test * update cutoffs arg * update hyps assigning * Update docstrings Co-authored-by: nw13slx <nw13mifaso@gmail.com>
Codecov Report
@@ Coverage Diff @@
## master #199 +/- ##
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- Coverage 58.84% 54.63% -4.21%
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Files 35 47 +12
Lines 7545 10242 +2697
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+ Hits 4440 5596 +1156
- Misses 3105 4646 +1541
Continue to review full report at Codecov.
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* Update del method * Fix bug where GP crashes if kernel disagrees with cutoffs * Unit tests catch mb case * Pep8 clean up
* Update del method * Fix bug where GP crashes if kernel disagrees with cutoffs * Unit tests catch mb case * Quality of life method is_valid * Fix merge issue
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As a remark, even though there's a zillion changes in this PR, at least each (most?) of the substantial changes and new features have been individually reviewed when they were merged onto the development branch. Kind of like writing a thesis based on work that was mostly featured in peer reviewed papers... The scrutiny has mostly already been applied. |
MGP - var upper bound & ASE Atoms
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Before merging the C++ updates into development, which may introduce some unintended bugs, I think it makes sense to update master, especially since many of the changes on development make the code more accessible to users.