Releases: molssi-seamm/read_structure_step
Releases · molssi-seamm/read_structure_step
Updated to be compatible with the new system classes.
2021.2.4 Fixed bug left in CI files.
Moved to new system and options handling
And also new CI/CD using GitHub Actions.
Removed leftover debugging print.
Merge pull request #19 from molssi-seamm/bugfix Removed leftover debug print statement.
Added plotting capabilities.
Consolidating a number of changes, but the noticeable user visible change is the addition of Plotly plots, which are currently used in LAMMPS.
Fixed formatting and bugs with location of MOPAC
0.71 Bug in finding MOPAC exec
Initial, working version.
0.7 First draft of mopac files