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scripts/ReadMe.md
@@ -26,6 +26,9 @@ This folder contains scripts submitted by users or CCDC scientists for anyone to
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### Create GAUSSIAN Input
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- Create GAUSSIAN input file (`.gjf`) for a given CSD refcode or `.mol2` file.
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+### Particle Rugosity
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+- Calculates the simulated (BFDH) particle rugosity weighted by facet area.
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+
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## Tips
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A section for top tips in using the repository and GitHub.
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### Searching tips:
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