Fix AttributeError: module 'pyscf.pbc.df.ft_ao' has no attribute '_ft_aopair_kpts' #25
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update _ft_aopair_kpts to ft_aopair_kpts
update _ft_aopair_kpts to ft_aopair_kpts
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I thought I had a more up-to-date version of PySCF. Turns out this will only work up to version 2.0.1 of PySCF @sunqm Has this plugin been completely abandoned? I wanted to use PySCF with MPI but seems like updating this to version 2.3.0 would be a lot of work. |
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This repo is not abandoned. The pbc.df module in pyscf is changed so much since v2.0. Not enough resource can be put in this repo regarding those changes. |
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I will merge your PR. I guess it should make the FFTDF class working with MPI. The GDF code will fail if working with pyscf-2.3 |
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This fixes issue #19 and is necessary because of this commit to PySCF.