HenriqueCSJ
Computational chemist and Linuxer learning to do some Python coding.
UFRGSRio de Janeiro, Brazil
Pinned Repositories
henriquecsj.github.io
My Blorg
Origen
Origen is the ORCA Input Generator. You know what it does, right?
PhD-Thesis-Molecular-Magnetism
Tex files of my PhD Thesis
seminars
Jupyter notebooks for the KJE2001 course at UiT The Arctic University of Norway
SunFlower
Advanced calculations for Molecular Magnetism
HenriqueCSJ's Repositories
HenriqueCSJ/henriquecsj.github.io
My Blorg
HenriqueCSJ/Origen
Origen is the ORCA Input Generator. You know what it does, right?
HenriqueCSJ/SunFlower
Advanced calculations for Molecular Magnetism
HenriqueCSJ/PhD-Thesis-Molecular-Magnetism
Tex files of my PhD Thesis
HenriqueCSJ/seminars
Jupyter notebooks for the KJE2001 course at UiT The Arctic University of Norway
HenriqueCSJ/blog
HenriqueCSJ/CCFBT
Crappy Code for Boring Tasks (CCFBT) is where I put random code for tasks that I am too lazy to do over and over.
HenriqueCSJ/CompChem2021
This repository was buld to help you get NCIPLOT 4 running on your Windows computer as a requirement for Professor Julia Contreras-García's workshop. For that we'll use Cygwin.
HenriqueCSJ/geradoc
GeraDoc - Sistema Gerenciador de Documentos.
HenriqueCSJ/henriquecastro.github.io
My personal blog
HenriqueCSJ/Molecular-Magnetism
Initial commit
HenriqueCSJ/ORCASpectrumPlot
ORCASpectrumPlot is a GUI tool for visualizing and processing ORCA quantum chemistry software's .spectrum files. It features Gaussian convolution for spectral broadening, energy shift adjustments, and interactive plotting with options to save processed data.
HenriqueCSJ/Python-for-Data-Science-and-Machine-Learning-Bootcamp
HenriqueCSJ/Python-Lessons
Exercises and tests in Python
HenriqueCSJ/QuantumChemistryNotebooks
HenriqueCSJ/Run-ORCA
Small script to submit ORCA jobs
HenriqueCSJ/SBQT2023
Repository for the 2023 SBQT workshop
HenriqueCSJ/SistemaEquipamentos
HenriqueCSJ/spin-frustration
Notebook sobre frustração de spin
HenriqueCSJ/UFF1
A large dataset with CASSCF + DFT features on organometallic compounds containing Co, N, O H
HenriqueCSJ/VEDA2xlsx
Python script to parse VEDA4 outputs to a simple Excel spreadsheet