Version 5.1.2
Performance release. The executable was linked against AVX2 processor extension for increased performance at modern processor architectures. Bugfixes and improved output information.
General:
- new build updates performance (linked against AVX2)
- allow finding tblite as dependency (merge #16 )
- added
-qcpath
flag for setting the QC path outside the default (issue #8 ) - new
pqcxms
run-script improves performance and stability for local calculations (issue #3 )
CID:
- added CID run-type exiting conditions and info (issue #9 )
- Bugfix for too small distances after first collision (hotfix) 🐞
EI:
- info now provides correct distribution function (G iee vs. P iee)