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atomsk

Atomsk: A Tool For Manipulating And Converting Atomic Data Files -

bandstructure

Scripts for electronic band structure

ca2x-mg2x

MyProject

cif-parsers

Comparison of Crystallographic Information Format v1.1 and v2.0 parsers

cod-tools

Tools for handling CIF files, and CIF parsers used for the Crystallography Open Database (COD)

crystal_structures

A collection of crystal structures from first-principles simulations

crystdata

Archive of Crystal Structures

espresso-automation-scripts

Scripts for Quantum Espresso Automation

f90nml

A Python module and command line tool for working with Fortran namelists

fireworks

The Fireworks Workflow Management Repo.

jsmn

Jsmn is a world fastest JSON parser/tokenizer. This is the official repo replacing the old one at Bitbucket

lammps

Public development project of the LAMMPS MD software package

matgenb

Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.

miscellaneous

ntpl

ntpl

open-source-rover

A build-it-yourself, 6-wheel rover based on the rovers on Mars!

poscarmodules

Python modules for reading POSCARs, creating a Crystal object, and executing an external program - findsym - on the Crystal object

psutil

Cross-platform lib for process and system monitoring in Python

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.

pyseed

pysolar

Pysolar is a collection of Python libraries for simulating the irradiation of any point on earth by the sun. It includes code for extremely precise ephemeris calculations.

q-e-1

Mirror of the Quantum ESPRESSO repository

qiskit-sdk-py

Python software development kit for writing quantum computing experiments, programs, and applications

quantum-espresso-automation

sametimerepo

solaralgorithms

spglib

C library for finding and handling crystal symmetries

sqlite-web

Web-based SQLite database browser written in Python

tjbot

IBM TJBot

vision