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Antônio Arapiraca's Projects

combo icon combo

COMmon Bayesian Optimization

gaussium icon gaussium

A Quantum Chemistry program written in Python 3 supporting RHF, UHF, TDHF, CIS, MP2, DFT, CCSD and CCSD(T) methods.

geomconvert icon geomconvert

A python utility to convert between XYZ and Z-matrix geometries.

gpufit icon gpufit

GPU-accelerated Levenberg-Marquardt curve fitting in CUDA

hartree-fock-1 icon hartree-fock-1

Solution of Hartree-Fock equations within Pople's STO-3G basis set

hartreefock icon hartreefock

A program implementing the Hartree–Fock/self-consistent field method

hpcinfo icon hpcinfo

Information about many aspects of high-performance computing. Wiki content moved to ~/docs.

hphf icon hphf

High Performance Hartree Fock

hydra icon hydra

Header only library for data analysis in massively parallel platforms.

introtopython icon introtopython

Files associated with our book Intro to Python for Computer Science and Data Science

ipeadatapy icon ipeadatapy

ipeadatapy is a data and metadata extraction package made in Python using Ipeadata database official API. In it's essence it is an API wrapper.

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