DFT Project: Water Splitting Reaction Free Energy

This is the code base for DFT Computation project for Interface Theory and Computation Electrolysis course

Name		Name	Last commit message	Last commit date
Latest commit History 25 Commits
.vscode		.vscode
config		config
modules		modules
old		old
results		results
utils		utils
.gitignore		.gitignore
DFT_Project-Water_Splitting_Reaction_Free_Energy.pdf		DFT_Project-Water_Splitting_Reaction_Free_Energy.pdf
LICENSE		LICENSE
README.md		README.md
RWTH_project_description_DFT_H2O.pdf		RWTH_project_description_DFT_H2O.pdf
main.py		main.py
requirements.txt		requirements.txt

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