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ajz34 committed Jan 31, 2023
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7 changes: 7 additions & 0 deletions README.md
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Expand Up @@ -76,6 +76,13 @@ A reminder to experienced PySCF users is that, the library
[cuanto/libdftd3](https://github.com/cuanto/libdftd3). So please do not copy your old `libdftd3.so`
to extension `pyscf/dftd3`.

### Deprecation Notice

Version 0.1.3 of this extension `dh` corresponds to PySCF versions before 2022.
For newer PySCF versions, `dh` v0.1.3 will not work due to code change of `pyscf.dft.numint.cache_xc_kernel`.

Version 0.1.4 of this extension `dh` corresponds to newer PySCF versions (v2.1.0).


## Availibility and Limitations

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11 changes: 4 additions & 7 deletions pyscf/setup.py
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Expand Up @@ -16,14 +16,11 @@
DESCRIPTION = 'Doubly-hybrid methods for PySCF'
VERSION = '0.1.4'
ACKNOWLEDGE = 'Xin Xu (supervisor and group leader), ' \
'Igor Ying Zhang (igor-1982), ' \
'Neil Qiang Su, ' \
'Yonghao Gu (yonghaogu), ' \
'Wenjie Yan, ' \
'Yangyang Jin (UltraJINX), ' \
'Shirong Wang (hebrewsnabla), ' \
'PySCF Developers'
'PySCF Developers, ' \
'Igor Ying Zhang (igor1982), Neil Qiang Su, ' \
'Yonghao Gu, Wenjie Yan, Yangyang Jin (UltraJINX), Shirong Wang (hebrewsnabla)'
AUTHOR = 'Zhenyu Zhu (ajz34)'
CONRTIBUTER = 'Shirong Wnag (hebrewsnabla)'
AUTHOR_EMAIL = 'ajz34@outlook.com'
DEPENDENCIES = ['pyscf', 'numpy', 'h5py']

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