computations-scripts

Various scripts useful in computational studies in molecular sciences

Name		Name	Last commit message	Last commit date
Latest commit History 122 Commits
.gitignore		.gitignore
.pylintrc		.pylintrc
ASM_DistorsionInteraction.py		ASM_DistorsionInteraction.py
ASM_NBO.py		ASM_NBO.py
ASM_NBO_Gaussian.py		ASM_NBO_Gaussian.py
ASM_extract_NBO_from_t21.py		ASM_extract_NBO_from_t21.py
LICENSE		LICENSE
README.md		README.md
read_resubmit.py		read_resubmit.py

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