raachem 0.0.3

Tools I use for computational chemistry

# Description Helpfull scripts for doing computational chemistry

# Latest updates Support for orca input file creationCustomizable use of .com or .gjf extensionsBug fixes and other customizations

# Installing “cd” to the directory that contains the ‘setup.py’ file.Run one of the following commands as apropriated (including the dot character): `bash py -m pip install . ` `bash python3 -m pip install . ` `bash pip3 install . ` `bash python -m pip install . ` `bash pip install . ` Note for those who had installed previous versions of this software:Manually delete the old “raachem” if you had it (pre installer versions). # Running After installation is complete, you should be able to run the module from any folder using one of the following: `bash py -m raachem ` `bash python3 -m raachem ` `bash python -m raachem ` Done! The script operates on files in the current working directory! # Uninstalling Run one of the following commands as apropriated: `bash py -m pip uninstall raachem ` `bash python3 -m pip uninstall raachem ` `bash pip3 uninstall raachem ` `bash python -m pip uninstall raachem ` `bash pip uninstall raachem `