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gpaw
Here are 5 public repositories matching this topic...
ORCA .out, GPAW .txt parser
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Updated
Apr 18, 2024 - Python
Interfaces for atomistic simulation codes and workflows
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Updated
May 6, 2024 - Jupyter Notebook
deploying GPAW DFT software with docker & Alpine Linux
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Updated
Aug 31, 2020 - Shell
Material simulation tutorial on DFT for high school students to find alternative, green energy source to fossil fuels.
python
sustainability
dft
quantum-mechanics
materials-science
materials-informatics
atomistic-simulations
ase
google-colab
materials-modelling
googlecolab
gpaw
dft-calculations
hydrogen-energy
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Updated
Aug 12, 2023 - Jupyter Notebook
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