Pinned Repositories
2020-software-fellow-posters
blobs
Cube files plotting machine
chm673
Computational Quantum Chemistry - Spring 2020
moly
Molecular Visualization powered by Plotly
numerov
Numerov Algorithm for Harmonic Oscillator in 1D
n2v
n2v: Density-to-potential Inversion Suite
pyCADMium
Solve the Kohn-Sham equations on a prolate spheroidal grid.
VHchavez's Repositories
VHchavez/moly
Molecular Visualization powered by Plotly
VHchavez/blobs
Cube files plotting machine
VHchavez/chm673
Computational Quantum Chemistry - Spring 2020
VHchavez/2020-software-fellow-posters
VHchavez/CHM673-1
Information page for CHM673 course
VHchavez/CrystaLattE
Set of scripts to automate the calculation of crystal lattice energies.
VHchavez/libefp
Parallel implementation of the Effective Fragment Potential Method
VHchavez/molssi-workshop
A repository for the MolSSI cms workshop
VHchavez/molyExamples
Documentation, examples and tutorials
VHchavez/msf_2020A
VHchavez/n2v
n(r) to v(r). Density-to-potential Inversion Suite
VHchavez/n2v_examples
Jupyter Notebook examples for n2v module
VHchavez/Partition
VHchavez/pdft
Fragment based calculations for density functional theory
VHchavez/personal_config_files
VHchavez/plotly.py
The interactive graphing library for Python (includes Plotly Express) :sparkles:
VHchavez/psi4
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
VHchavez/psi4education
Psi4Education Labs Public Repository. If you are submitting a new lab, please submit it to the psi4education-instructor repo.
VHchavez/psi4numpy
Combining Psi4 and Numpy for education and development.
VHchavez/psicode-hugo-website
soon to be replacement for psicode.org (was https://admiring-tesla-08529a.netlify.com/)
VHchavez/PsiEmbed
Python code designed for projection-based embedding calculations
VHchavez/pyCADMium
Solve the Kohn-Sham equations on a prolate spheroidal grid.
VHchavez/python-package-best-practices
https://molssi-education.github.io/python-package-best-practices/
VHchavez/QCArchiveExamples
Getting started docs, examples, tutorials, and use cases.
VHchavez/ROYGBIV
A 3D engine for the Web
VHchavez/staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
VHchavez/super-octo-broccoli
MolSSI Tapia 2022
VHchavez/tremarje.github.io
VHchavez/VHchavez
VHchavez/zmk-config-card