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Carlos E. V. de Moura (carlosevmoura)

carlosevmoura

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Company:University of Florida

Location:Gainesville, FL

Home Page:carlosevmoura.org

Twitter:@carlosevmoura

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Carlos E. V. de Moura's repositories

CompChemTools

Personal scripts to simplify computational chemistry activities

Language:MathematicaLicense:MITStargazers:2Issues:2Issues:0

getThermo

A tool to obtain thermodynamic properties of chemical systems selecting normal modes which describes vibrational movement

Language:FORTRANLicense:MITStargazers:2Issues:2Issues:0

blog-posts

Auxiliary files for my blog posts in carlosevmoura.org

Language:Jupyter NotebookLicense:MITStargazers:1Issues:2Issues:0

courses-notes

Sharing notes from courses and textbooks studies

Language:MathematicaLicense:MITStargazers:1Issues:2Issues:0

IBM-Data-Science-Professional-Certificate

My Personal Files from IBM Data Science Professional Certificate

Language:Jupyter NotebookStargazers:1Issues:2Issues:0

isGAMESS

A script to automate calculation of inner-shell electronic excited states using IS-MCSCF method in GAMESS

Language:PythonLicense:MITStargazers:1Issues:2Issues:0

pyscf

Python module for quantum chemistry

Language:PythonLicense:Apache-2.0Stargazers:1Issues:1Issues:0

regex-exercises

Exercise test framework for Regular Expression tutorial

Language:PythonStargazers:1Issues:1Issues:0

hpc-python

Python in High Performance Computing

Language:PythonLicense:NOASSERTIONStargazers:0Issues:0Issues:0

Fanpy

Fanpy is a free and open-source Python library for developing and testing multideterminant wavefunctions and related ab initio methods in electronic structure theory.

License:NOASSERTIONStargazers:0Issues:0Issues:0

prism-docs

Documentation of Prism electronic structure package

Stargazers:0Issues:0Issues:0

PyCI

A flexible ab-initio quantum chemistry library for Configuration Interaction.

License:GPL-3.0Stargazers:0Issues:0Issues:0