fft_electronic_spin_density
Perform FFT on Gaussian .cube files of charge or spin density to obtain the (magnetic) form factor for neutron scattering
Science Score: 26.0%
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Repository
Perform FFT on Gaussian .cube files of charge or spin density to obtain the (magnetic) form factor for neutron scattering
Basic Info
- Host: GitHub
- Owner: liborsold
- License: mit
- Language: Python
- Default Branch: master
- Homepage: https://liborsold.github.io/fft_electronic_spin_density
- Size: 41.8 MB
Statistics
- Stars: 0
- Watchers: 1
- Forks: 0
- Open Issues: 0
- Releases: 0
Metadata Files
README.md
fft_electronic_spin_density
Perform FFT on Gaussian .cube files of charge or spin density, primarily to obtain the (magnetic) form factor for neutron scattering.
See the documentation website.
If you find this package useful, please cite L. Spitz, L. Vojek, et al., under preparation.
Quick start
python
pip install fft_electronic_spin_density
then
bash
git clone https://github.com/liborsold/fft_electronic_spin_density.git
and execute the ./examples/example_of_use.ipynb Jupyter notebook in the examples folder.
Usage
See the Examples section of the web documentation for details.
Owner
- Login: liborsold
- Kind: user
- Repositories: 1
- Profile: https://github.com/liborsold
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Last Year
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