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What is a molecular relaxation worker? Is that a scientific or a computing term?
by divbzero 4y ago
What is a molecular relaxation worker? Is that a scientific or a computing term?
- malux85 4y agoIt’s a colloquial term for structure optimisation https://wiki.fysik.dtu.dk/ase/ase/optimize.html https://wiki.fysik.dtu.dk/ase/ase/optimize.html