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libxc
libxc
Merge requests
Open
5
Merged
8
Closed
0
All
13
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Created date
Do not include xc_funcs.h and xc_funcs_removed.h in the main header.
!622
· created
Oct 19, 2023
by
Susi Lehtola
8.0.0
master
Core
Merged
updated
Nov 06, 2023
Decrease oddly large density thresholds
!557
· created
Apr 11, 2022
by
Susi Lehtola
8.0.0
master
Bug
1
updated
Oct 13, 2022
Implement short-range LDA correlation as well as short-range PBE exchange and...
!542
· created
Feb 17, 2022
by
Susi Lehtola
8.0.0
master
Functional request
Merged
1
updated
Oct 13, 2022
Rearrange handling of minimal Fermi curvature
!513
· created
Dec 03, 2021
by
Susi Lehtola
8.0.0
master
1
updated
Mar 08, 2022
Move functionals definitions to src/functionals directory
!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
!500
· created
Sep 18, 2021
by
Susi Lehtola
8.0.0
master
Functional request
updated
Oct 13, 2021
Added a new flag: XC_FLAGS_NEEDS_TAU.
!496
· created
Sep 04, 2021
by
Miguel Marques
8.0.0
master
Core
Merged
updated
Aug 25, 2023
Fix install directory of CMake file (#339).
!492
· created
Sep 02, 2021
by
Susi Lehtola
8.0.0
master
Merged
updated
Sep 09, 2021
Implemented hyb_gga_xc_pbe0_dh, hyb_gga_xc_pbe0_2, hyb_gga_xc_pbe_qidh, and hyb_gga_xc_ls1dh_pbe.
!477
· created
Apr 16, 2021
by
Susi Lehtola
8.0.0
master
Functional request
Merged
updated
Apr 16, 2021
WIP: Revamp the hybrid functional interface
!476
· created
Apr 15, 2021
by
Susi Lehtola
8.0.0
master
Core
28
updated
Feb 21, 2023
Fix B2PLYP double hybrid and implement B2GPPLYP, wB2PLYP and wB2GPPLYP
!475
· created
Apr 13, 2021
by
Susi Lehtola
8.0.0
master
Functional request
Merged
3
updated
Apr 19, 2022
Use C++98 everywhere
!469
· created
Apr 07, 2021
by
Igor S. Gerasimov
8.0.0
master
Core
Merged
11
updated
Apr 08, 2021
Hold a copy of the external parameter array in each functional instance.
!445
· created
Jan 26, 2021
by
Susi Lehtola
8.0.0
master
Merged
4
updated
Jan 27, 2021