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Commits on Oct 30, 2024

• Merge pull request pyscf#143 from sunqm/gpu4pyscf

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  tberkel

  authored
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• Update GPU4PySCF documents

  sunqm

  committed
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• Update board members and maintainers

  sunqm

  committed
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Commits on Oct 29, 2024

• update extension list

  

  fishjojo

  authored and

  sunqm

  committed
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Commits on Oct 14, 2024

• Update using.md (pyscf#140)

  tberkel

  authored
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Commits on Oct 9, 2024

• Merge pull request pyscf#136 from fishjojo/master

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  gkc1000

  authored
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Commits on Sep 29, 2024

• Bump version

  sunqm

  committed
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Commits on Sep 18, 2024

• add news page

  fishjojo

  committed
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Commits on Jul 25, 2024

• Merge pull request pyscf#133 from tberkel/master

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  gkc1000

  authored
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• Update requirements and README

  tberkel

  committed
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• Update README

  tberkel

  committed
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• Merge branch 'pyscf:master' into master

  tberkel

  authored
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Commits on Jul 13, 2024

• update for set_frozen

  

  jeanwsr

  authored and

  fishjojo

  committed
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Commits on Jun 19, 2024

• Update About page

  tberkel

  committed
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• Small edit to How to install

  tberkel

  committed
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• Small edit to How to install

  tberkel

  committed
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• Edit How to use page

  tberkel

  committed
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• Edit How to use page

  tberkel

  committed
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• Add GitHub link

  tberkel

  committed
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• Add updated How to install and How to use pages to User Guide

  tberkel

  committed
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• Update home page and overall organization

  tberkel

  committed
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• Change to PyData Sphinx Theme

  tberkel

  committed
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• Update README about gh-pages deployment and remove unused Slack workflow

  tberkel

  committed
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Commits on Jun 18, 2024

• Merge pull request pyscf#131 from sunqm/2.6

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  tberkel

  authored
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Commits on Jun 1, 2024

• Update for 2.6 release

  sunqm

  committed
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Commits on May 8, 2024

• add the doc for GPU and solvent models (pyscf#130)

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  wxj6000

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Commits on Jan 23, 2024

• Update 00-simple_nve.py

  

  sunqm

  authored and

  fishjojo

  committed
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• Extend description of vsap

  

  susilehtola

  authored and

  fishjojo

  committed
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• Include references for SAD guess.

  

  susilehtola

  authored and

  fishjojo

  committed
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Commits on Dec 1, 2023

• add link to cas_ac0 issue pyscf#123

  

  fishjojo

  authored and

  sunqm

  committed
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• fix link issue pyscf#125

  

  fishjojo

  authored and

  sunqm

  committed
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Commits on Oct 19, 2023

• Update install requirements

  

  sunqm

  authored and

  fishjojo

  committed
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Commits on Oct 10, 2023

• Document GKS with non-collinear functionals (pyscf#122)

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  penglinq

  authored
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• Update md docs (pyscf#121)

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  matthew-hennefarth

  authored
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Commits on Sep 23, 2023

• Merge pull request pyscf#119 from fishjojo/master

  sunchong137

  authored
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