Add repulse() to push close atoms apart#480

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pmrv wants to merge 8 commits intomainfrom

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
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Commits on Apr 10, 2026

Merge branch 'main' into repulse
jan-janssen
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