Pinned Repositories
ebylaska
Config files for my GitHub profile.
EMSL-Arrows
FitSNAP
Software for generating SNAP machine-learning interatomic potentials
nwchem-bylaska
NWChem: Open Source High-Performance Computational Chemistry
PWDFT
Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software
PWH2-Data
TinyArrows
TinyArrows is a tiny version of EMSL Arrows
nwchem
NWChem: Open Source High-Performance Computational Chemistry
nwchem-wiki
NWChem Documentation
nwchemgit.github.io
NWChem web site
ebylaska's Repositories
ebylaska/PWDFT
Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software
ebylaska/TinyArrows
TinyArrows is a tiny version of EMSL Arrows
ebylaska/FitSNAP
Software for generating SNAP machine-learning interatomic potentials
ebylaska/nwchem-bylaska
NWChem: Open Source High-Performance Computational Chemistry
ebylaska/nwchem-nanohub
Repolsitory for NWChem nanohub developments
ebylaska/PWH2-Data
ebylaska/ebylaska
Config files for my GitHub profile.
ebylaska/EMSL-Arrows
ebylaska/FCI
ebylaska/NESAP-Kernels
hybrid openmp-mpi kernels for the nwpw module in nwchem
ebylaska/ML_Potentials
Machine learning potential work with Raymond
ebylaska/nwchem
ebylaska/nwchem-wiki
NWChem Documentation
ebylaska/NWChem_Repository
A repository for Docker, Singularity and Shifter Files
ebylaska/NWPW-C-
ebylaska/PAW_Testing
ebylaska/Simple-CPSD
Simple CPSD code
ebylaska/test