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logsdail / carmm

Scripts for creation, manipulation and analysis of geometric and electronic structure of molecular models
GNU General Public License v3.0
5 stars 17 forks source link

Counterpoise onego--ase version #170

Closed GaryLZW closed 1 month ago

GaryLZW commented 2 months ago

Try to accommodate ASE 3.23

logsdail commented 2 months ago

Hiya pal. Is it possible to start a new branch when trying to make changes each time? As otherwise the narrative is hard to follow on work has been done (for instance, we have muddled into the history here things related to file locations, etc.)

logsdail commented 2 months ago

You can close a branch when merged, and so then everything gets stored for posterity but doesn’t get confusing to read.