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JuliaMolSim / EmpiricalPotentials.jl

Empirical interatomic potentials with Julia, AtomsBase and AtomsCalculators
MIT License
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Fix Stillinger-Weber #5

Closed tjjarvinen closed 6 months ago

tjjarvinen commented 6 months ago

This will fix SW potential and add AtomsCalculator tests for it.

Benchmark for SW is also added.

With this SW should be AtomsCalculators compatible.

tjjarvinen commented 6 months ago

@cortner this is ready for merge. I would merge it before registration in general finishes, as this will fix SW potential.