sufyanshk Goto Github PK

2021-workshop-material

awesome-materials-informatics

Curated list of known efforts in materials informatics

baderpostprocess

Post processing of Bader charge files.

bestpractices

Things that you should (and should not) do in your Materials Informatics research.

citrine_ml_tut

ML tutorials from Citrine (http://www.citrine.io/blog/?offset=1434641580000)

cv

My CV.

flux_scripts

VASP Flux structure relaxation files.

generate_sqs

Generate Special Quasirandom Structures using ATAT framework and Atomsk.

github-demo

A simple demo repository to show the basic Git workflow.

imagej

ImageJ macros and plugins.

matminer_examples

A repo of examples for the matminer (https://github.com/hackingmaterials/matminer) code

rdf

A code to compute the radial distribution function

rdfpy

rdfpy is a Python module for fast computation of 2D and 3D radial distribution functions.

rld

Root-mean-squared lattice distortion

scripts

VASP structure relaxations bash and gnuplot scripts.

sqs2poscar

A c++ code to convert bestsqs.out from mcsqs (ATAT) to POSCAR for VASP.

sufyanshk.github.io

Personal webpage

vasp-scriptsnshit

Some VASP processing and convergence-testing shell scripts.

vasp_scripts

Bash and Python scripts to perform simple post-processing and analyses on VASP calculation outputs.

vasputil

Command-line utilities and Python libraries designed to make life with VASP easier

webplotdigitizer

HTML5 based online tool to extract numerical data from plot images.