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Feature/lixin/gp from aimd #88

Merged
merged 8 commits into from
Oct 14, 2019
Merged

Feature/lixin/gp from aimd #88

merged 8 commits into from
Oct 14, 2019

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nw13slx
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@nw13slx nw13slx commented Oct 10, 2019

Slight modification and clean up for gp_from_aimd module and output module

  • min_atoms_added function enable. training is only called when added atoms are more than this parameter
  • hyper parameters printing is more formatted in gp_from_aimd and gp_algrebra
  • output.py is cleaned up. replacing all the string format into f-string.

@codecov-io
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codecov-io commented Oct 10, 2019

Codecov Report

Merging #88 into master will increase coverage by 0.27%.
The diff coverage is 84.61%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master      #88      +/-   ##
==========================================
+ Coverage    41.3%   41.57%   +0.27%     
==========================================
  Files          29       29              
  Lines        4966     4998      +32     
==========================================
+ Hits         2051     2078      +27     
- Misses       2915     2920       +5
Impacted Files Coverage Δ
flare/gp_algebra.py 59.06% <50%> (-0.04%) ⬇️
flare/gp_from_aimd.py 85.21% <72.97%> (-2.51%) ⬇️
flare/output.py 95.1% <94.23%> (+0.25%) ⬆️

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@stevetorr
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stevetorr commented Oct 11, 2019

Looks great! I'm curious to hear your 2 cents on the hyperparameter labels but besides that feel free to pull.

@nw13slx nw13slx merged commit dbcd65b into master Oct 14, 2019
@stevetorr stevetorr deleted the feature/lixin/gp_from_aimd branch October 14, 2019 15:33
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3 participants