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The MultiStateSampler uses the FIRE minimizer by default, which has caused us some problems recently. If we can't fix it, we can either switch back to the L-BFGS minimizer, or try to minimize also with L-BFGS if the energies are still high after FIRE.
The text was updated successfully, but these errors were encountered:
The
MultiStateSampler
uses the FIRE minimizer by default, which has caused us some problems recently. If we can't fix it, we can either switch back to the L-BFGS minimizer, or try to minimize also with L-BFGS if the energies are still high after FIRE.The text was updated successfully, but these errors were encountered: