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libxc
Merge requests
Open
27
Merged
563
Closed
54
All
644
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Created date
Drop gga_x_herman
libxc!601
· created
Jan 09, 2023
by
Susi Lehtola
6.1.0
master
Bug
Merged
updated
Jan 09, 2023
Implement machine learned mGGA functionals from Kovács et al
libxc!600
· created
Jan 09, 2023
by
Ph03n1xdust
6.2.0
master
Functional request
Closed
2
updated
May 26, 2023
r2scan hybrids
libxc!599
· created
Jan 09, 2023
by
Susi Lehtola
6.1.0
master
Functional request
Merged
updated
Jan 09, 2023
Resolve "Missing comma at end of line in mgga_xc_b97mv.c"
libxc!598
· created
Dec 14, 2022
by
Susi Lehtola
6.1.0
master
Bug
Merged
updated
Dec 14, 2022
Draft: Resolve "gga_x_herman is incorrect"
libxc!597
· created
Dec 08, 2022
by
Miguel Marques
master
Bug
Closed
1
updated
Jan 09, 2023
Resolve "gga_pow compilation with g++ is failing 2 tests"
libxc!596
· created
Nov 28, 2022
by
Miguel Marques
master
Merged
updated
Nov 28, 2022
Draft: Resolve "XC_FLAGS_NEEDS_TAU is not in Fortran interface"
libxc!595
· created
Nov 28, 2022
by
Miguel Marques
master
Closed
updated
Nov 28, 2022
Implement get_ingredients
libxc!594
· created
Nov 28, 2022
by
Igor S. Gerasimov
master
4
updated
Jul 24, 2023
Add AddressSanitizer
libxc!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
libxc!592
· created
Nov 26, 2022
by
Igor S. Gerasimov
hgga_reclean
updated
Nov 28, 2022
Fix memory allocation in xc-regression.c
libxc!591
· created
Nov 26, 2022
by
Igor S. Gerasimov
6.1.0
master
Bug
Merged
1
1
updated
Jan 10, 2023
Add XC_FLAGS_NEEDS_TAU to Fortran interface
libxc!590
· created
Nov 24, 2022
by
Susi Lehtola
master
Merged
updated
Dec 07, 2022
Implement hyb_mgga_xc_gas22, the Google Advanced Science 2022 hybrid meta-GGA functional.
libxc!589
· created
Nov 24, 2022
by
Susi Lehtola
6.1.0
master
Functional request
Merged
updated
Dec 11, 2022
Fix mgga_c_revscan
libxc!588
· created
Nov 20, 2022
by
Susi Lehtola
6.1.0
master
Bug
Merged
updated
Dec 08, 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
Port changelog from 6.0.0 and bump version of master branch
libxc!586
· created
Oct 15, 2022
by
Susi Lehtola
master
Merged
updated
Oct 15, 2022
Fix FindStandardMathLibraryC.cmake reusing variable names
libxc!585
· created
Oct 14, 2022
by
Robert Adam
6.2.0
master
Bug
Merged
2
updated
Mar 06, 2023
xc-threshold should not be installed
libxc!584
· created
Oct 13, 2022
by
Susi Lehtola
6.0.0
master
Merged
updated
Oct 13, 2022
Fix Fortran compiler detection in automake
libxc!583
· created
Oct 13, 2022
by
Susi Lehtola
6.0.0
master
Merged
updated
Oct 13, 2022
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