Releases: m3g/packmol
Releases · m3g/packmol
17.184
17.163
17.125
17.099
17.097
17.096
- Changed version file to 17.096
- Merge branch 'master' into boxlist
- some small ahestetic changes
- fixed bug fatom computation
- restored --fast-math in Makefile
- moved chkgrad in initial, and in this case do not avoi overlaps
- fixed initialization of latomfirst
- removed unnecessary data from resetboxes
- skip reset boxes on initialization on computeg
- merged makefile
- added performance option to compilation
- Merge modifications of packmol.f90 that improve printing
- boxlist updated to current version
17.094
17.039
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