Kevin Boyd af6347963f Condense MMFF Contribs into single contrib per type. (#8175) ...

* Condense MMFF electrostatics and contrib instances.

Previously, a separate contrib had been added for each common term.
Each of these required a separate allocation, and a separate dynamic dispatch
on call. This change moves to an SOA style, making data access contiguous and
drastically reducing the number of calls.

* Make suggested copyright fixes and svn artifact removals

2025-01-29 06:18:09 +01:00

6.5 KiB

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