carlosevmoura Goto Github PK
Name: Carlos E. V. de Moura
Type: User
Company: University of Florida
Bio: Postdoctoral Researcher in Quantum Chemistry
Twitter: carlosevmoura
Location: Gainesville, FL
Blog: carlosevmoura.org
Carlos E. V. de Moura's Projects
blog-posts
Auxiliary files for my blog posts in carlosevmoura.org
compchemtools
Personal scripts to simplify computational chemistry activities
courses-notes
Sharing notes from courses and textbooks studies
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.
getthermo
A tool to obtain thermodynamic properties of chemical systems selecting normal modes which describes vibrational movement
hpc-python
Python in High Performance Computing
ibm-data-science-professional-certificate
My Personal Files from IBM Data Science Professional Certificate
isgamess
A script to automate calculation of inner-shell electronic excited states using IS-MCSCF method in GAMESS
prism-docs
Documentation of Prism electronic structure package
pyci
A flexible ab-initio quantum chemistry library for Configuration Interaction.
pyscf
Python module for quantum chemistry
regex-exercises
Exercise test framework for Regular Expression tutorial
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