Paolo Tosco
72066affe9
- Optimization of UFF and MMFF forcefields ( #1218 )
...
* - optimization to UFF and MMFF forcefields
* - further optimizations (memset, factoring unnecessary in-loop
initialization out of the loop, replacing if clause with pre-increment)
* - fixed a couple of stylistic glitches
* - the torsionSmarts parameter in addTorsions() is now a const std::string&
* - implemented the DefaultTorsionBondSmarts singleton using boost::call_once()
2017-01-04 08:33:34 +01:00
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