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2 years ago Codecov Report
Merging #34 (13d7ac5) into main (e22dc35) will not change coverage. The diff coverage is
100.00%.
@@ Coverage Diff @@
## main #34 +/- ##
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Coverage 100.00% 100.00%
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Files 9 9
Lines 147 160 +13
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+ Hits 147 160 +13 | Impacted Files | Coverage Δ | |
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| src/empirical/bm.jl | 100.00% <100.00%> (ø) |
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| src/empirical/coulomb.jl | 100.00% <100.00%> (ø) |
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| src/empirical/lj.jl | 100.00% <100.00%> (ø) |
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| src/empirical/morse.jl | 100.00% <100.00%> (ø) |
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| src/empirical/zbl.jl | 100.00% <100.00%> (ø) |
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| src/mixed/linear_combination_potential.jl | 100.00% <100.00%> (ø) |
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| src/types/arbitrary_potential.jl | 100.00% <100.00%> (ø) |
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| src/types/empirical_potential.jl | 100.00% <100.00%> (ø) |
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This PR adds two new field accessor functions to the API:
get_rcutoffandget_species. This allows us to avoid using direct field access in the aggregation functions and will be very important for when we externalize the neighbor list interface. New implementations default toInfandmissingrespectively. TheLinearCombinationPotentialhasrcutoffwhich is themaximumof its subpotentials. This choice seems sensible right now but it could potentially be revisited when we rework the neighbor list abstraction in version 0.3.