Marco Santia's repositories
python-pwscf
Python wrapper for QUANTUM ESPRESSO
aiida_core
The official repository for the AiiDA code
awesome-fortran
Awesome list of Fortran libs
bashstrap
A quick way to spruce up your terminal in OSX.
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
dft-book
A book on modeling materials using VASP, ase and jasp
FLAP
Fortran command Line Arguments Parser for poor people
geeknote
Console client for Evernote.
gnomon
Utility to annotate console logging statements with timestamps and find slow processes
gtk-fortran
Fortran 95 GTK+ Interface Modules
julia
The Julia Language: A fresh approach to technical computing.
materials.sh
materials.sh
mpmorph
MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently under development. It relies heavily on tools developed by the Materials Project (pymatgen, custodian, fireworks) and atomate.
phono3py
A simulation package of phonon-phonon interaction related properties
Plots.jl
Powerful convenience for Julia visualizations and data analysis
process-watcher
Watch Linux processes by polling /proc and notify via email or desktop notification when they complete.
pubplots
Pubplots is a set of functions for quickly making nice publication quility plots from data stored in csv files or pandas DataFrames
pylada-light
A physics computational framework for python and ipython
pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
q-e
Official mirror of Quantum ESPRESSO
Self-Consistent-Quasiharmonic-Approximation-Method
An efficient ab-initio quasiharmonic method for thermodynamic properties of solids
task2dot
convert taskwarrior export to graphviz format and analyse projects
tilde
Materials informatics framework for ab initio data repositories
VASP
Python program to evaluate off-resonance Raman activity using VASP code as the backend.
vim-orgmode
Text outlining and task management for Vim based on Emacs' Org-Mode
yadm
Yet Another Dotfiles Manager