Read bond types from CIF file. - #76

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lipelopesoliveira wants to merge 16 commits into

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lipelopesoliveira:master

Commits on Jan 19, 2026

Add minimal energy change parameter for optimization convergence
lipelopesoliveira
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Commits on Feb 3, 2026

Remove space on division for compatibility with older versions
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Commits on Jul 29, 2026

Enhance UFF4MOF force field calculations and update METALS list
lipelopesoliveira
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Commits on Jul 30, 2026

Apply the same constraint to UFF potential
lipelopesoliveira
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Implement improved angle computation in MolecularGraph class to handle overlapping atoms gracefully
lipelopesoliveira
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