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abipy

Open-source library for analyzing the results produced by ABINIT

aichat

Using ChatGPT/GPT-3.5/GPT-4 in the terminal.

aiida_core

The official repository for the AiiDA code

aiida_demos

A repository of examples, tutorials and demos to demonstrate AiiDA functionality

aishell

AiShell: A Natural Language Shell Powered by ChatGPT

akima

1D Akima spline interpolation with derivatives

atomate

atomate is a powerful software for computational materials science and contains pre-built workflows.

awesome-fortran

Awesome list of Fortran libs

bashstrap

A quick way to spruce up your terminal in OSX.

bgwpy

BerkeleyGW python

burnman

BurnMan is a library for modeling mantle thermodynamics and thermoelasticity constrained by mineral physics experiments.

colorls

A Ruby script that beautifies the terminal's ls command, with color and font-awesome icons. :tada:

compphysicsnotebooks

Jupyter Python Notebooks of "Computational Physics", Landau, Paez, Bordeianu

computationalphysics

For best reading of the website use

computationalphysicsmsu

For weekly plans, slides etc this site contains all relevant info

conda-vendor

Conda package for artifact creation that enables offline environments. Ideal for air-gapped deployments.

conemu

Customizable Windows terminal with tabs, splits, quake-style and more

cookiecutter-cms

Python-centric Cookiecutter for Molecular Computational Chemistry Packages

crates.io-index

Registry index for crates.io

dft-book

A book on modeling materials using VASP, ase and jasp

diffeqmontecarlo.jl

Monte Carlo simulation routines for JuliaDiffEq solvers

dofiles

dotfiles - Macbook Pro with Retina Display 15'

dotfiles-1

dotfiles-2

My dotfiles for Nixos, bspwm, Spacemacs, and other applications...

dotfiles-3

12 different themes for BSPWM and Polybar. With a Rice selector to change on the fly.

dotfiles_wsl

Bootstrap your Ubuntu in a single command!

elastool

A toolkit for automatic calculation and analysis of elastic constants

flap

Fortran command Line Arguments Parser for poor people

gdis

A visualization program for the display, manipulation, and analysis of isolated molecules and periodic structures

geeknote

Console client for Evernote.