- This version of SZYBKI has been built using OEToolkits 2019.Apr. The previous version was built using OEToolkits 2018.Oct.
Major bug fixes¶
- freeform -calc solv has been fixed to properly calculate solvation energy when used with -solvcharges input.
Minor bug fixes¶
- Occasional overflow of table contents in the freeform -calc conf generated report file has been eliminated.
- Unreasonably high energy conformers information are clipped from the energy plots in the report generated from freeform -calc conf.
- SZYBKI entropy calculation with -entropy AN no longer produces a crash.