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peastman authored
Integrators control when atom reordering gets done, instead of having it happen automatically when forces are evaluated. This simplifies some code, and also improves unintuitive behavior with CustomIntegrator.
18f78c1e
Integrators control when atom reordering gets done, instead of having it happen automatically when forces are evaluated. This simplifies some code, and also improves unintuitive behavior with CustomIntegrator.