Pinned Repositories
intel-oneapi-github-actions
Use this template for all the Intel(R) oneAPI components inside your Github actions workflow file.
io08
A modern Fortran-based input file parser program.
libfdf
mpi-libfdf-parser
A modern Fortran-based parser for parsing input files. It uses LibFDF library and works with sequential as well as multinode calculations.
qc2champ
Reads output files of quantum chemical calculations and creates input files for CHAMP code.
slurm-mongo
A package to download slurm usage from a supercomputer and upload it to MongoDB
sphere2cart
trex-parser
Bison/Yacc and Flex based parser
trex2champ
trex2champ is a tool which allows to read output files of quantum chemistry codes (GAMESS and trexio files) and write input files for CHAMP in V3.0 format
fparser
neelravi's Repositories
neelravi/qc2champ
Reads output files of quantum chemical calculations and creates input files for CHAMP code.
neelravi/intel-oneapi-github-actions
Use this template for all the Intel(R) oneAPI components inside your Github actions workflow file.
neelravi/mpi-libfdf-parser
A modern Fortran-based parser for parsing input files. It uses LibFDF library and works with sequential as well as multinode calculations.
neelravi/slurm-mongo
A package to download slurm usage from a supercomputer and upload it to MongoDB
neelravi/sphere2cart
neelravi/trex2champ
trex2champ is a tool which allows to read output files of quantum chemistry codes (GAMESS and trexio files) and write input files for CHAMP in V3.0 format
neelravi/aiida-champ
neelravi/BFD-basis-pseudo
neelravi/champ
The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations of atomic and molecular systems.
neelravi/coder
Provision remote development environments via Terraform
neelravi/docuowl
🦉 A documentation generator
neelravi/ferminet
An implementation of the Fermionic Neural Network for ab-initio electronic structure calculations
neelravi/FirebaseUI-Angular
A wrapper for FirebaseUI in Angular
neelravi/FPdataViewer
neelravi/gatsby-prismic-blog-starter
Blog starter template developed using Gatsby and Prismic.
neelravi/gatsby-starter-netlify-cms
neelravi/hugo-blog-wowchemy-cms
neelravi/mkdocs-material-template
Material for MkDocs and some tweaks to look more minimalistic
neelravi/neelravi
neelravi/neelravi-blog-cms
neelravi/netlifycmsravindra
neelravi/portfolio
neelravi/qcinfo
Quantum Chemical Calculations Insights tool
neelravi/ring-size
Find the size of the proposal ring from a photograph of a palm.
neelravi/scidev
neelravi/slurm_usage_reporter
A python package that reports SLURM account usage within a given interval for a given user.
neelravi/strapi
🚀 Strapi is the leading open-source headless CMS. It’s 100% JavaScript, fully customizable and developer-first.
neelravi/test-course
something
neelravi/test-template
The template repository for the test course on Learning Lab.
neelravi/trexio_tools
Set of tools for trexio files