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Merge pull request #108 from matthew-hennefarth/fix-get-ratio

Pull request merge
MatthewRHermespushed 3 commits to master • c6b7f4e…e9f8187 • 
11 hours ago

Fix pypi release pipeline

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sunqmpushed 1 commit to master • bc57364…c6b7f4e • 
21 days ago

Merge pull request #102 from shuhangli98/dsrg-mrpt

Pull request merge
MatthewRHermespushed 9 commits to master • 9754fd0…bc57364 • 
25 days ago

Merge pull request #104 from sunqm/1.0.3

Pull request merge
MatthewRHermespushed 2 commits to master • e5bf149…9754fd0 • 
28 days ago

Staggered mesh method for PBC exact exchange (#98)

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sunqmpushed 1 commit to master • 0c25868…e5bf149 • 
29 days ago

PySCF v2.8.0 compatibility

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sunqmpushed 1 commit to master • 1b6bfac…0c25868 • 
on Jan 10

Merge pull request #99 from JangidBhavnesh/master

Pull request merge
MatthewRHermespushed 3 commits to master • e8036bc…1b6bfac • 
on Jan 10

Merge pull request #97 from jeanwsr/cmake-xc

Pull request merge
MatthewRHermespushed 3 commits to master • bbbd592…e8036bc • 
on Jan 6

Merge pull request #95 from baopengbp/master

Pull request merge
MatthewRHermespushed 2 commits to master • 7179ac0…bbbd592 • 
on Jan 4

Merge pull request #93 from JangidBhavnesh/master

Pull request merge
MatthewRHermespushed 18 commits to master • 33f8dc4…7179ac0 • 
on Jan 3

Merge pull request #96 from jeanwsr/pdft

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MatthewRHermespushed 5 commits to master • bb743d1…33f8dc4 • 
on Jan 3

Add MSDFT method (#77)

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sunqmpushed 1 commit to master • 6c1acbd…bb743d1 • 
on Dec 24, 2024

Merge pull request #89 from sunqm/pep-625

Pull request merge
MatthewRHermespushed 4 commits to master • 8ed37ed…6c1acbd • 
on Dec 18, 2024

Merge pull request #91 from MatthewRHermes/libxc_7.0.0

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MatthewRHermespushed 2 commits to master • 8fb92d6…8ed37ed • 
on Dec 17, 2024

Merge pull request #88 from sunqm/bump-version-1.0.2

Pull request merge
MatthewRHermespushed 7 commits to master • 6c49b55…8fb92d6 • 
on Dec 12, 2024

Implemented PBC for Gamma point (real wavefunction) (#85)

Pull request merge
sunqmpushed 1 commit to master • dca336a…6c49b55 • 
on Dec 6, 2024

Merge pull request #84 from sunqm/trexio-contracted-basis

Pull request merge
MatthewRHermespushed 4 commits to master • 7f130a6…dca336a • 
on Dec 4, 2024

A new LibXC interface and new MC-DCFT code (#70)

Pull request merge
sunqmpushed 1 commit to master • 880b3d1…7f130a6 • 
on Dec 4, 2024

Implement particle-particle random phase approximation (ppRPA) (#83)

Pull request merge
sunqmpushed 1 commit to master • 9564956…880b3d1 • 
on Dec 3, 2024

Implemented the ECP part and added several missing factors in the TRE…

Pull request merge
sunqmpushed 1 commit to master • ceceaaf…9564956 • 
on Nov 15, 2024

The User can now register its determinant into trexio format (#80)

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sunqmpushed 1 commit to master • d0b11d4…ceceaaf • 
on Nov 14, 2024

Parity violating contributions to molecular energy. (#81)

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sunqmpushed 1 commit to master • 77a6d7e…d0b11d4 • 
on Nov 13, 2024

Enable PySCF 3.10 and 3.12 unit tests in CI (#78)

Pull request merge
sunqmpushed 1 commit to master • b045613…77a6d7e • 
on Nov 9, 2024

Merge pull request #76 from matthew-hennefarth/hybrid-decomp

Pull request merge
MatthewRHermespushed 4 commits to master • f3d8c32…b045613 • 
on Nov 1, 2024

Merge pull request #75 from matthew-hennefarth/pdft-dip-example

Pull request merge
MatthewRHermespushed 5 commits to master • 2babf8f…f3d8c32 • 
on Nov 1, 2024

Merge pull request #74 from sunqm/setuptools-70

Pull request merge
MatthewRHermespushed 2 commits to master • 6367ade…2babf8f • 
on Nov 1, 2024

Test re-enabling Python 3.10 and 3.12

MatthewRHermescreated update_github_actions • 4b99cc9 • 
on Oct 30, 2024

Merge pull request #72 from MatthewRHermes/pyscf_2.7

Pull request merge
MatthewRHermespushed 5 commits to master • 0a53df0…6367ade • 
on Oct 30, 2024

Merge pull request #73 from sunqm/bump-version

Pull request merge
MatthewRHermespushed 5 commits to master • be401a8…0a53df0 • 
on Oct 30, 2024

Update GitHub actions to Python 3.8 (#69)

Pull request merge
sunqmpushed 1 commit to master • 73e5ffa…be401a8 • 
on Sep 27, 2024