Ravindra Shinde
CHAMP-EU
The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations. The code is developed by Claudia Filippi and Saverio Moroni, with significant contributions by Ravindra Shinde, N. Renaud, V. Azizi, E. Landinez, and S. Shepard.
- Chemistry
- High performance computing
- Physics
- + 1
- (Assembly)
- (Berry)
- (Brainfuck)
- + 14
fairtool
Fairtool is a simple Python package to make your computational materials data FAIR. It comes with a command-line interface to transform the raw output into both machine-readable and human-readable outputs. It optionally allows the user to visualize the entire dataset locally on a web server.
- Computational Physics
- Data Analysis
- FAIR
- + 4
- (Python)
slurm-mongo
A package to download slurm usage from a supercomputer and upload it to MongoDB
- Big data
- High performance computing
- SLURM
- (Python)
Aiida-CHAMP
The aiida-champ plugin to handle the CHAMP workflow using AiiDA.
- python
- workflow
- (Python)
- (Shell)
trex2champ
trex2champ is a tool that allows reading output files of quantum chemistry codes (GAMESS and trexio files) and writing input files for CHAMP in V3.0 format.
- Inter-operability & linked data
- python
- (Python)