Question of custom functional form

Automatic force field optimization. Given a force field and a set of reference data (e.g. energies and forces from QM calculations, experimental measurements), we tune the force field parameters such that it accurately reproduces the reference data.
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sun kl
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Joined: Sun Jun 27, 2021 7:37 pm

Question of custom functional form

Post by sun kl » Sun Jun 27, 2021 8:15 pm

Does the ForceBalance support custom functional form.And Which file code should I modify to set the function form?
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