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JuliaMolSim / Molly.jl

Molecular simulation in Julia
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Ensure the termination of function `place_atoms` #62

Closed JaydevSR closed 2 years ago

JaydevSR commented 2 years ago
  1. Check on maximum atoms that can fit the box.
  2. Add kwarg max_attempts which decides the termination of loop after this many faliures.
codecov[bot] commented 2 years ago

Codecov Report

Merging #62 (fad38a0) into master (556db22) will increase coverage by 0.00%. The diff coverage is 88.88%.

@@           Coverage Diff           @@
##           master      #62   +/-   ##
=======================================
  Coverage   86.71%   86.71%           
=======================================
  Files          28       28           
  Lines        2905     2913    +8     
=======================================
+ Hits         2519     2526    +7     
- Misses        386      387    +1
Impacted Files Coverage Δ
src/setup.jl 94.35% <88.88%> (-0.09%) :arrow_down:

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jgreener64 commented 2 years ago

Great, thanks.