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JuliaMolSim / EmpiricalPotentials.jl

Empirical interatomic potentials with Julia, AtomsBase and AtomsCalculators
MIT License
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FD tests #20

Closed cortner closed 4 months ago

cortner commented 4 months ago

This PR is to provide FD tests for the implemented calculators. So far I've added the tests for SW.

Addresses #17

Needs the corresponding PR in AtomsCalculators to be merged and tagged first.

cortner commented 4 months ago

this is superceded by #22