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libxc
Merge requests
Open
27
Merged
563
Closed
54
All
644
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Created date
Fix limit of TASK (#404)
libxc!582
· created
Oct 13, 2022
by
Susi Lehtola
master
Merged
updated
Oct 13, 2022
Implement gga_x_ncapr
libxc!581
· created
Oct 13, 2022
by
Susi Lehtola
6.0.0
master
Functional request
Merged
updated
Oct 14, 2022
Implement B97-3c
libxc!580
· created
Aug 02, 2022
by
Susi Lehtola
6.0.0
master
Functional request
Closed
1
updated
Aug 04, 2022
Use same bibtex key scheme for errata as for the original manuscript
libxc!579
· created
Jul 26, 2022
by
Susi Lehtola
6.0.0
master
Merged
1
updated
Oct 13, 2022
Draft: Cleaned up hyllios' hgga branch.
libxc!578
· created
Jul 25, 2022
by
Susi Lehtola
master
16
updated
Nov 30, 2022
CASE21 journal reference
libxc!577
· created
Jul 23, 2022
by
Susi Lehtola
6.0.0
master
Documentation
Merged
1
updated
Aug 16, 2022
Add b97-3c functional
libxc!576
· created
Jul 23, 2022
by
Shirong Wang
6.0.0
master
Functional request
Closed
19
updated
Aug 03, 2022
Draft: Added support for hyper-GGAs
libxc!575
· created
Jul 11, 2022
by
Miguel Marques
master
4
updated
Jul 25, 2022
Explicitly set C99 standard in configure.ac
libxc!574
· created
Jun 27, 2022
by
Susi Lehtola
master
Closed
2
updated
Feb 29, 2024
Some older compilers have problems with variables declared inside the for loop.
libxc!573
· created
Jun 27, 2022
by
Miguel Marques
master
Closed
1
updated
Jun 27, 2022
Add functionality to access BibTeX reference keys from Libxc
libxc!572
· created
Jun 20, 2022
by
Susi Lehtola
6.0.0
master
Merged
1
updated
Oct 13, 2022
Implemented actinide fitted version of PBE by Mitrofanov and coworkers.
libxc!571
· created
Jun 15, 2022
by
Susi Lehtola
6.1.0
master
Functional request
Merged
1
updated
Jan 09, 2023
Add note in code about HCTH/147 c5 parameter value
libxc!570
· created
Jun 10, 2022
by
Susi Lehtola
6.0.0
master
Merged
updated
Oct 13, 2022
Changelog from 5.2.x.
libxc!569
· created
May 27, 2022
by
Susi Lehtola
master
Merged
updated
May 27, 2022
Fix an incorrect year in a reference
libxc!568
· created
May 26, 2022
by
Susi Lehtola
6.0.0
master
Documentation
Merged
updated
May 26, 2022
The literature reference of O3LYP was missing in the source
libxc!567
· created
May 26, 2022
by
Susi Lehtola
6.0.0
master
Documentation
Merged
updated
May 26, 2022
Implement PBE and TPSS with parameters from Gaussian
libxc!566
· created
May 26, 2022
by
Susi Lehtola
6.0.0
master
Functional request
Merged
updated
Jun 13, 2022
Draft: Mgga alpha
libxc!565
· created
May 20, 2022
by
Susi Lehtola
master
1
updated
Jun 15, 2022
Resolve "New correlation functionals for TASK"
libxc!564
· created
May 18, 2022
by
Susi Lehtola
6.0.0
master
Functional request
Merged
updated
Jun 13, 2022
Fix cuda compilation in CI.
libxc!563
· created
May 16, 2022
by
Susi Lehtola
master
Merged
updated
May 16, 2022
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