15 skills found
molmod / Psiflowscalable molecular simulation
sblisesivdin / Gpaw Toolsgpaw-tools is a powerful and user-friendly UI/GUI tool for conducting Density Functional Theory (DFT) and molecular dynamics (MD) calculations
philass / GpawkAwk on the GPU
qsnake / GpawGit mirror of https://svn.fysik.dtu.dk/projects/gpaw/trunk
ChemParse / ChemParseORCA .out, GPAW .txt parser and many more
pyiron / AtomisticsInterfaces for atomistic simulation codes and workflows
conda-forge / Gpaw FeedstockA conda-smithy repository for gpaw.
marcindulak / Gpaw On AwsConfigure an HPC cluster on AWS using CfnCluster for running GPAW
jpferrierjr / Apple Silicon GPAW SetupEver have trouble installing GPAW on your fancy new arm-based Apple computer? Is MacOSX getting you down when you're just trying to do some DFT work?! Well, worry no more (hopefully... your mileage may vary)! Just install this .sh script and start smiling. 🤓
matbinder / Ase ExamplesA series of ASE examples, introducing the basic functionality and how to use the interfaces for cp2k, gpaw, lammps, openkim, quantum-espresso and siesta. All dependencies are available on conda-forge.
minyez / Quick Tutor On Gpaw Gwbsea quick tutorial on performing GW/BSE calculations in GPAW
mir-group / CiderPressLite"alpha" release of 2023 CIDER functionals, with interfaces to PySCF and GPAW
ondrejkrejci / MathemticaForDFTnSPMMathematica notebooks for processing, plotting and visualizition of outputs (and sometimes also inputs) of DFT codes (VASP, FHI-AIMS, Fireball, GPAW and maybe others) and results of SPM (simulations)
Ravenslofty / Gpawoo2shader-based gpawoo
89AJ / Current DensityCurrent density using gpaw and ase
