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Once EmpiricalPotentials is ready replace the current dummy test by a test based on a LJ or similar, which actually tests the geometry optimisation does its job. In particular test:
The energy decreases due to the optimisation
The correct minimum is obtained
Custom callbacks
Other Optimization.jl solvers
The text was updated successfully, but these errors were encountered:
Once EmpiricalPotentials is ready replace the current dummy test by a test based on a LJ or similar, which actually tests the geometry optimisation does its job. In particular test:
The text was updated successfully, but these errors were encountered: