GitHub topics: gpaw
molmod/psiflow
scalable molecular simulation
Language: Python - Size: 25.7 MB - Last synced at: 3 days ago - Pushed at: 3 days ago - Stars: 136 - Forks: 13
pyiron/atomistics
Interfaces for atomistic simulation codes and workflows
Language: Jupyter Notebook - Size: 4.6 MB - Last synced at: 4 days ago - Pushed at: 4 days ago - Stars: 4 - Forks: 4
sblisesivdin/gpaw-tools
gpaw-tools is a powerful and user-friendly UI/GUI tool for conducting Density Functional Theory (DFT) and molecular dynamics (MD) calculations
Language: Python - Size: 1.81 MB - Last synced at: 22 days ago - Pushed at: 23 days ago - Stars: 26 - Forks: 10
ChemParse/ChemParse
ORCA .out, GPAW .txt parser and many more
Language: Python - Size: 7.36 MB - Last synced at: about 2 months ago - Pushed at: 3 months ago - Stars: 7 - Forks: 0
dellelce/gpaw-docker
deploying GPAW DFT software with docker & Alpine Linux
Language: Shell - Size: 43 KB - Last synced at: 4 months ago - Pushed at: 4 months ago - Stars: 1 - Forks: 0
sedaoturak/ScienceU
Material simulation tutorial on DFT for high school students to find alternative, green energy source to fossil fuels.
Language: Jupyter Notebook - Size: 86.9 KB - Last synced at: over 1 year ago - Pushed at: over 1 year ago - Stars: 0 - Forks: 0
