Releases: m3g/packmol
Releases · m3g/packmol
16.344
- fixed initialization of fixedatom when there are no fixed molecules
- avoids computing function and gradient for two fixed molecules that overlap
- safeguard for gpsupn = 0
- changed blank to newpage in gitlog link
- took back link to git log in blank page
- link to git log in blank page
- updated development flags in Makefile.default
- improved makefile for gencan
- improved output message when there are only fixed molecules.
- substituted calls to charl to calls to strlength, which is better
- Changed version file to 16.344
- updated release.sh file