Add merge function to replace two atoms by one#481

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jan-janssen merged 14 commits into

mainfrom

May 13, 2026

Commits on Apr 8, 2026

Fix convergence check (>=) and handle zero-distance division by zero in repulse()

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samwaseda
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Fix coincident-atom fallback to use opposite directions via neigh.indices

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samwaseda
authored

Commits on May 13, 2026