sunqm/pyscf: PySCF v1.4.2 release
- Qiming Sun
- Timothy Berkelbach
- Alexander Sokolov
- jdmcclain47
- gkc1000
- Sheng Guo
- ghb24
- Sebastian Wouters
- Lucas Wagner
- Zhendong Li
- Wirawan Purwanto
- Nick Blunt
- Mark J. Williamson
- Bo-Xiao Zheng
- latrix
- Jan Hermann
- Bastien MUSSARD
- pulkin
- Susi Lehtola
- Kevin Koh
- januseriksen
- Li Chen
- Junhao Li
- Elvira Sayfutyarova
- vijay
Publication date
December 2017
DOIAbstract
Added Frank Jensen, Polarization consistent basis sets Improved Memory usage of pbc KHF calculation when HF exchange is computed with FFTDF Bugfix pyberny interface PBC GDF initialization for hybrid functional guess of wfn symmetry for given fci wfn Entropy of Gaussian smearing k-point RCCSD for non-canonical HF referenc
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