SHDShim

S.-H. Dan Shim's starred repositories

pymatgen

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.

Language:PythonNOASSERTION1490 111 1330

abTEM

ab initio Transmission Electron Microscopy

Language:PythonGPL-3.0197 10 144

vasp

New ASE compliant Python interface to VASP

Language:Python122 20 36

abipy

Open-source library for analyzing the results produced by ABINIT

Language:PythonNOASSERTION114 15 75

xrayutilities

xrayutilities - a package with useful scripts for X-ray diffraction physicists

Language:PythonGPL-2.083 13 144

Dioptas

Python based GUI-Program for integration and exploration of 2D x-ray diffraction images.

Language:PythonGPL-3.057 12 96

hexrd

A cross-platform, open-source library for the analysis of X-ray diffraction data.

Language:PythonNOASSERTION56 15 167

testipynb

unit-testing for a collection of jupyter notebooks using nbconvert

Language:PythonMIT41 3 4

Elastic

A module for ASE for elastic constants calculation.

Language:PythonGPL-3.035 7 9

ExoPlex

DEPRECATED. Please refer to https://github.com/CaymanUnterborn/ExoPlex for the updated project. A self-consistent mineral physics solver for exoplanets.

Language:PythonGPL-3.018 8 6

gpaw-feedstock

A conda-smithy repository for gpaw.

Language:ShellBSD-3-Clause7 8 9

T-rax

Language:PythonGPL-3.06 8 6

T-rax

Language:Python2 30