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JuliaMolSim / Molly.jl

Molecular simulation in Julia
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Fix SimpleCrystals Bugs #155

Closed ejmeitz closed 8 months ago

ejmeitz commented 8 months ago

Tests pass locally. Forgot that Molly stores coords as Vector{SVector{N,T}} so just had to update that in the Crystal constructor to fix things as SimpleCrystals no longer stores its positions as Vector{SVector{N,T}}.

codecov[bot] commented 8 months ago

Codecov Report

All modified and coverable lines are covered by tests :white_check_mark:

Comparison is base (0c58f26) 72.36% compared to head (455fd4c) 72.36%.

Additional details and impacted files ```diff @@ Coverage Diff @@ ## master #155 +/- ## ======================================= Coverage 72.36% 72.36% ======================================= Files 35 35 Lines 5232 5232 ======================================= Hits 3786 3786 Misses 1446 1446 ``` | [Files](https://app.codecov.io/gh/JuliaMolSim/Molly.jl/pull/155?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=JuliaMolSim) | Coverage Δ | | |---|---|---| | [src/types.jl](https://app.codecov.io/gh/JuliaMolSim/Molly.jl/pull/155?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=JuliaMolSim#diff-c3JjL3R5cGVzLmps) | `72.37% <100.00%> (ø)` | |

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jgreener64 commented 8 months ago

Thanks.