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libxc
libxc
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26
Merged
545
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Created date
WIP: Introduce flag to control enforcement of Fermi hole curvature
!631
· created
Feb 29, 2024
by
Susi Lehtola
7.0.0
Core
0
updated
Mar 01, 2024
treat pylibxc as independent project
!612
· created
Feb 20, 2023
by
Lori A. Burns
7.0.0
master
Build System: CMake
7
updated
Mar 13, 2024
minimal fetchcontent
!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
!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
!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
!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
!604
· created
Jan 30, 2023
by
Cristian Le
7.0.0
master
Build System: CMake
17
updated
Mar 13, 2024
Drop setup.py which is overkill; use CMake instead for installing Python frontend.
!602
· created
Jan 16, 2023
by
Susi Lehtola
master
3
updated
Mar 13, 2024
Implement get_ingredients
!594
· created
Nov 28, 2022
by
Igor S. Gerasimov
master
4
updated
Jul 24, 2023
Add AddressSanitizer
!593
· created
Nov 28, 2022
by
Igor S. Gerasimov
7.0.0
master
Build System: CMake
2
updated
Feb 29, 2024
Update new C API
!592
· created
Nov 26, 2022
by
Igor S. Gerasimov
hgga_reclean
0
updated
Nov 28, 2022
Draft: Implement vdW-DF-ahcx and vdW-DF2-ahbr based on a patch sent by Per Hyldgaard
!587
· created
Nov 02, 2022
by
Susi Lehtola
master
0
updated
Nov 10, 2022
Draft: Cleaned up hyllios' hgga branch.
!578
· created
Jul 25, 2022
by
Susi Lehtola
master
16
updated
Nov 30, 2022
Draft: Added support for hyper-GGAs
!575
· created
Jul 11, 2022
by
Miguel Marques
master
4
updated
Jul 25, 2022
Draft: Mgga alpha
!565
· created
May 20, 2022
by
Susi Lehtola
master
1
updated
Jun 15, 2022
Draft: Resolve "asserts should not be used for parameter checking"
!562
· created
May 16, 2022
by
Miguel Marques
master
0
Added support to hyper-GGAs in the maple2c script. Also implemented the first
!561
· created
May 16, 2022
by
Miguel Marques
master
1
updated
Jul 25, 2022
Decrease oddly large density thresholds
!557
· created
Apr 11, 2022
by
Susi Lehtola
8.0.0
master
Bug
1
updated
Oct 13, 2022
Fix "Functional '%s' does not provide an implementation of vxc" for CUDA
!555
· created
Mar 14, 2022
by
Igor S. Gerasimov
master
1
updated
Mar 14, 2022
Draft: Use constant pointers to constant data instead of constant pointers to variable data.
!552
· created
Mar 08, 2022
by
Susi Lehtola
master
1
updated
Oct 13, 2022
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