kcl-tscm
King's College London - Theory & Simulation of Condensed Matter
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Young_instructions
Young_instructions PublicThis module has been designed to offer a simple introduction and repository of simple files for submitting jobs using Young.
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- Young_instructions Public
This module has been designed to offer a simple introduction and repository of simple files for submitting jobs using Young.
- fullerene_breathing Public
- pyscf2gfn Public
Parser code written in Python for using GFn-XTB as a relaxation engine for providing relaxed structures to PySCF directly within the same script
- python_tools Public
Different set of tools created for enhancing capabilitiies of numerical calculations such as compiled versions of blas functions using cython
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