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Commit 7ae444cc authored by Kurt A. O'Hearn's avatar Kurt A. O'Hearn
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sPuReMD: split into library and driver for optimization integration (NSGA-II).... 

sPuReMD: split into library and driver for optimization integration (NSGA-II). Fix bug with interaction lists being allocated for hydrogen bonds when no hydorgen atoms present. Fix minimum allocation size of 3-body lists (uncovered with small lithium geometries). Refactor naming of conflicting data structures with NSGA-II. Update .gitignore.
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