Mpi4pyscf

Latest version: v0.3.1

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0.3.1

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* Bugfix
- mpi.Msg type error

0.3

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Bind to pyscf-1.7
* Added
- Supports to RSH functionals for molecular HF and KS methods

0.3.0

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* Update
- Refactor helper functions in tools.mpi

0.2

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Bind to pyscf-1.6
* Added
- molecular RHF and UHF methods
- molecular RKS and UKS methods
- PBC df module (including FFT, AFT, GDF, MDF)
- molecular RMP2
- molecular RCCSD

0.1

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Initialize mpi4pyscf
* Added
- mpi4py wrapper and mpi tools

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