Tools I use for computational chemistry
Project description
# 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 On Windons: `bash py -m pip install raachem ` On Linux: `bash python3 -m pip install raachem `
# Running After installation is complete, you should be able to run the module from any folder using one of the following: On Windons: `bash py -m raachem ` On Linux: `bash python3 -m raachem ` Done! The script operates on files in the current working directory!
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