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1. 2H-1e 2H-1e Public

   Generating the H2+ ion's Potential Energy Curves (PECs) using variational principles.

   Jupyter Notebook 2

2. lrc-optimization lrc-optimization Public

   Repository containing data and source code used in the article: "Long Range Parameter Optimization For The Description Of Potential Energy Surfaces Using Density Functional Theory"

   DIGITAL Command Language 1

3. projeto-md projeto-md Public

   Projeto Final em Métodos Computacionais B: Estudo termodinâmico de simulações em Dinâmica Molecular.

   Python 1

4. MLTools MLTools Public

   Tools for MLatom, a package for atomistic simulations with machine learning.

   Python