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Green/IntegralGeneration is a part of Green Software Toolkit and uses modified PySCF code
to generate Ewald correction into Coulomb integrals.
Installation
Dependencies
Green/IntegralGeneration has the following required external dependencies
- HDF5 library version >= 1.10.2
- PySCF
- NumPy
- SciPy
- h5py
Installation of Python package
We provide pre-built binaries for major Linux distributions and recent MacOS version via pip.
For installation using pip simply type pip install green-igen.
If pre-built binaries can not be used, package will be built from sources.
Acknowledgements
This work is supported by National Science Foundation under the award OCA-2310582
1 maintainer
Metadata
1 maintainer
Release files for green-igen 0.2.8
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| green_igen-0.2.8.tar.gz | 580.9 kB | Details |
Built distributions (wheels)
Total release size: 483.9 MB
Release files / green_igen-0.2.8.tar.gz
| Download URL | green_igen-0.2.8.tar.gz |
|---|---|
| Size | 580.9 kB |
| Tags | Source |
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