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Speed up calculation of Hartree potential #198

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merged 11 commits into from
Aug 12, 2023

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timcallow
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Significant speed-up for Hartree potential achieved by replacing expensive calls to np.where and np.trapz

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codecov bot commented Aug 11, 2023

Codecov Report

Merging #198 (7c7ef20) into develop (fa60b2b) will decrease coverage by 0.03%.
The diff coverage is 83.33%.

@@             Coverage Diff             @@
##           develop     #198      +/-   ##
===========================================
- Coverage    91.72%   91.70%   -0.03%     
===========================================
  Files           14       14              
  Lines         2406     2411       +5     
===========================================
+ Hits          2207     2211       +4     
- Misses         199      200       +1     
Files Changed Coverage Δ
atoMEC/staticKS.py 95.43% <83.33%> (-0.14%) ⬇️

@timcallow timcallow merged commit 46b31ac into atomec-project:develop Aug 12, 2023
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@timcallow timcallow deleted the hartree_pot branch August 12, 2023 08:09
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