henriquecsj Goto Github PK

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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.

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.

geradoc

GeraDoc - Sistema Gerenciador de Documentos.

henriquecastro.github.io

My personal blog

henriquecsj.github.io

My Blorg

molecular-magnetism

Initial commit

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.

origen

Origen is the ORCA Input Generator. You know what it does, right?

phd-thesis-molecular-magnetism

Tex files of my PhD Thesis

python-for-data-science-and-machine-learning-bootcamp

python-lessons

Exercises and tests in Python

quantumchemistrynotebooks

run-orca

Small script to submit ORCA jobs

sbqt2023

Repository for the 2023 SBQT workshop

seminars

Jupyter notebooks for the KJE2001 course at UiT The Arctic University of Norway

sistemaequipamentos

spin-frustration

Notebook sobre frustração de spin

sunflower

Advanced calculations for Molecular Magnetism

uff1

A large dataset with CASSCF + DFT features on organometallic compounds containing Co, N, O H

veda2xlsx

Python script to parse VEDA4 outputs to a simple Excel spreadsheet