/compchem-scripts

A repository for the scripts that I find useful when dealing with computational chemistry data from gaussian/turbomole/tinker etc packages. Some scripts are a lot cleaner/more user friendly than others. I will try to fix them when I have some time

Primary LanguagePython

compchem-scripts

A repository for the scripts that I have written for dealing with computational chemistry data from gaussian/turbomole/tinker etc packages. Some scripts are a lot cleaner/more widely applicable/more user friendly than others.