NNP

my thesis code for NNP

Here is my non-tested and initial code for my thesis!

Reference

Jörg Behler. Atom-centered symmetry functions for constructing high-dimensionalneural network potentials,(2011); doi.org/10.1063/1.3553717

Name		Name	Last commit message	Last commit date
Latest commit History 16 Commits
.gitignore		.gitignore
Acsf-Diff.ipynb		Acsf-Diff.ipynb
Fc-Diff.ipynb		Fc-Diff.ipynb
LICENSE		LICENSE
README.md		README.md
Radial & Angular ACSF.ipynb		Radial & Angular ACSF.ipynb
Sym-Func.ipynb		Sym-Func.ipynb