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Convergence check for relaxation with forcefields #753

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JaGeo opened this issue Feb 28, 2024 · 0 comments · Fixed by #722

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JaGeo commented Feb 28, 2024

Currently, it is not checked whether the relaxation of the forcefields has actually converged. A check should be implemented.

JaGeo mentioned this issue

Forcefield molecular dynamics and forcefield refactor #722

Merged

janosh closed this as completed in #722

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