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libxc
Merge requests
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564
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Priority
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
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
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
CASE21 journal reference
libxc!577
· created
Jul 23, 2022
by
Susi Lehtola
6.0.0
master
Documentation
Merged
1
updated
Aug 16, 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
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
Remaple mgga_xc_b97mv and hyb_mgga_xc_wb97mv (issue 401).
libxc!560
· created
May 11, 2022
by
Susi Lehtola
6.0.0
master
Bug
Merged
updated
May 11, 2022
Functional simplification with my_piecewise5 and improved gga_c_revtca
libxc!559
· created
May 09, 2022
by
Susi Lehtola
6.0.0
master
Merged
updated
May 11, 2022
Implement a version of PBE exchange with fewer decimals for beta.
libxc!558
· created
Apr 25, 2022
by
Susi Lehtola
6.0.0
master
Functional request
Merged
1
updated
May 03, 2022
Tidy up an entry in the bibliography.
libxc!556
· created
Apr 11, 2022
by
Susi Lehtola
6.0.0
master
Documentation
Merged
1
updated
May 26, 2022
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