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libxc
Merge requests
Open
27
Merged
563
Closed
54
All
644
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Milestone due date
WIP: Introduce flag to control enforcement of Fermi hole curvature
libxc!631
· created
Feb 29, 2024
by
Susi Lehtola
7.0.0
Core
updated
Mar 01, 2024
treat pylibxc as independent project
libxc!612
· created
Feb 20, 2023
by
Lori A. Burns
7.0.0
master
Build System: CMake
7
updated
Mar 13, 2024
minimal fetchcontent
libxc!610
· created
Feb 08, 2023
by
Lori A. Burns
7.0.0
master
Build System: CMake
7
updated
Mar 13, 2024
consolidate derivative options
3 of 4 checklist items completed
libxc!609
· created
Feb 06, 2023
by
Lori A. Burns
7.0.0
master
Build System: CMake
5
updated
Mar 13, 2024
disable longest 4th deriv offenders
libxc!606
· created
Feb 03, 2023
by
Lori A. Burns
7.0.0
master
Build System: CMake
10
updated
Mar 13, 2024
cmake maintenance
2 of 4 checklist items completed
libxc!605
· created
Feb 02, 2023
by
Lori A. Burns
7.0.0
master
Build System: CMake
7
updated
Mar 13, 2024
Draft: Support cmake ExternalProjects
libxc!604
· created
Jan 30, 2023
by
Cristian Le
7.0.0
master
Build System: CMake
17
updated
Mar 13, 2024
Add AddressSanitizer
libxc!593
· created
Nov 28, 2022
by
Igor S. Gerasimov
7.0.0
master
Build System: CMake
2
updated
Feb 29, 2024
Decrease oddly large density thresholds
libxc!557
· created
Apr 11, 2022
by
Susi Lehtola
8.0.0
master
Bug
1
updated
Oct 13, 2022
Rearrange handling of minimal Fermi curvature
libxc!513
· created
Dec 03, 2021
by
Susi Lehtola
8.0.0
master
1
updated
Mar 08, 2022
Move functionals definitions to src/functionals directory
libxc!511
· created
Nov 20, 2021
by
Igor S. Gerasimov
8.0.0
master
11
updated
Mar 10, 2023
WIP: Implement range-separated functionals by Jana et al
libxc!500
· created
Sep 18, 2021
by
Susi Lehtola
8.0.0
master
Functional request
updated
Oct 13, 2021
WIP: Revamp the hybrid functional interface
libxc!476
· created
Apr 15, 2021
by
Susi Lehtola
8.0.0
master
Core
28
updated
Feb 21, 2023
Drop setup.py which is overkill; use CMake instead for installing Python frontend.
libxc!602
· created
Jan 16, 2023
by
Susi Lehtola
master
3
updated
Mar 13, 2024
Implement get_ingredients
libxc!594
· created
Nov 28, 2022
by
Igor S. Gerasimov
master
4
updated
Jul 24, 2023
Update new C API
libxc!592
· created
Nov 26, 2022
by
Igor S. Gerasimov
hgga_reclean
updated
Nov 28, 2022
update URL for NWChem
libxc.gitlab.io!12
· created
Nov 09, 2022
by
Edoardo Apra
Draft: Implement vdW-DF-ahcx and vdW-DF2-ahbr based on a patch sent by Per Hyldgaard
libxc!587
· created
Nov 02, 2022
by
Susi Lehtola
master
updated
Nov 10, 2022
Draft: Cleaned up hyllios' hgga branch.
libxc!578
· created
Jul 25, 2022
by
Susi Lehtola
master
16
updated
Nov 30, 2022
Draft: Added support for hyper-GGAs
libxc!575
· created
Jul 11, 2022
by
Miguel Marques
master
4
updated
Jul 25, 2022
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