cjknight

Argonne National Laboratory

Pinned Repositories

GettingStarted
Collection of small examples for running on ALCF resources
Language:C15 13 67
user-guides
ALCF Systems User Documentation
Language:HTML17 41 5326
alcf-userguide
ALCF Systems User Documentation
Language:HTML00
gpu4pyscf
A plugin to use Nvidia GPU in PySCF package
Language:Cuda00
lammps
Public development project of the LAMMPS MD software package
Language:C++00
LaueHPC
Testing area for different algorithms and math libraries
Language:C++02
mrh
MRH's research code
Language:Python00
lammps
Public development project of the LAMMPS MD software package
Language:C++2.1k 117 1k1.7k
mrh
MRH's research code
Language:Python1529
MBX
MBX is an energy and force calculator for many-body models such as the MB-pol model of water.
Language:C++27 7 5730

cjknight's Repositories

cjknight/alcf-userguide
ALCF Systems User Documentation
Language:HTML00
cjknight/gpu4pyscf
A plugin to use Nvidia GPU in PySCF package
Language:Cuda00
cjknight/lammps
Public development project of the LAMMPS MD software package
Language:C++00
cjknight/LaueHPC
Testing area for different algorithms and math libraries
Language:C++02
cjknight/mrh
MRH's research code
Language:Python00