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Created date
Fixed a bug in the Python binding function for the symmetry analysis of...
!86
· created
Jul 30, 2024
by
Bang C. Huynh
Merged
updated
Jul 30, 2024
Fixed a bug in the Python binding function for the symmetry analysis of...
!85
· created
Jul 30, 2024
by
Bang C. Huynh
develop
Merged
updated
Jul 30, 2024
Draft: Doc updates
!84
· created
May 17, 2024
by
Bang C. Huynh
Merged
updated
Jul 30, 2024
Release v0.9.0
!83
· created
May 17, 2024
by
Bang C. Huynh
Merged
updated
May 17, 2024
Implemented multi-determinantal symmetry analysis
!82
· created
May 17, 2024
by
Bang C. Huynh
develop
Merged
updated
May 17, 2024
Draft: Bch/doc userguide
!81
· created
Apr 15, 2024
by
Bang C. Huynh
Merged
updated
May 17, 2024
[Sandbox] Real-space function symmetry analysis
!80
· created
Apr 14, 2024
by
Bang C. Huynh
develop
Merged
updated
Apr 14, 2024
Disable CI caching.
!79
· created
Apr 03, 2024
by
Bang C. Huynh
develop
Merged
updated
Apr 03, 2024
Bch/dev transformation timerev hybrid
!78
· created
Mar 24, 2024
by
Bang C. Huynh
develop
Merged
updated
Mar 24, 2024
Bch/dev analysis orbit overlap evaluation
!77
· created
Mar 22, 2024
by
Bang C. Huynh
develop
Merged
updated
Mar 22, 2024
Release v0.8.0
!76
· created
Mar 02, 2024
by
Bang C. Huynh
Merged
updated
Mar 02, 2024
Improved analysis of antiunitary operations
!75
· created
Mar 01, 2024
by
Bang C. Huynh
develop
Merged
updated
Mar 01, 2024
Small updates on user guide documentation
!74
· created
Dec 22, 2023
by
Bang C. Huynh
develop
Merged
updated
Mar 02, 2024
Release v0.7.1
!73
· created
Dec 21, 2023
by
Bang C. Huynh
Merged
updated
Dec 21, 2023
Bch/dev bindings python expose 2c overlap
!72
· created
Dec 12, 2023
by
Bang C. Huynh
develop
Merged
updated
Dec 12, 2023
Added SAO 4c specification to binaries source.
!71
· created
Dec 11, 2023
by
Bang C. Huynh
develop
Merged
updated
Dec 11, 2023
Implemented density symmetry analysis for Q-Chem HDF5
!70
· created
Dec 09, 2023
by
Bang C. Huynh
develop
Merged
updated
Dec 09, 2023
Updated factorial to 0.4.0 and updated Cargo.lock.
!69
· created
Dec 01, 2023
by
Bang C. Huynh
develop
Merged
updated
Dec 01, 2023
Added default values to Python molecule_symmetrisation function and added an...
!68
· created
Nov 20, 2023
by
Bang C. Huynh
develop
Merged
updated
Nov 20, 2023
Added missing symmetry-group detection run after molecule symmetrisation in CLI.
!67
· created
Nov 20, 2023
by
Bang C. Huynh
develop
Merged
updated
Nov 20, 2023
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