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This repository is the collection of Python / Bash / … scripts I wrote to make my life easier for analysis and automated calculations in ORCA / XTB / co.

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MartinRJDagleish/Scripts

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Scripts

This repository is a collection of (mostly) python scripts which I wrote or collected as means of automating tasks for numerous projects, such as my bachelor thesis and a lot of computational chemistry projects.

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This repository is the collection of Python / Bash / … scripts I wrote to make my life easier for analysis and automated calculations in ORCA / XTB / co.

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