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libxc
Merge requests
Open
27
Merged
563
Closed
54
All
644
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Created date
Draft: Resolve "asserts should not be used for parameter checking"
libxc!562
· created
May 16, 2022
by
Miguel Marques
master
Added support to hyper-GGAs in the maple2c script. Also implemented the first
libxc!561
· created
May 16, 2022
by
Miguel Marques
master
1
updated
Jul 25, 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
Decrease oddly large density thresholds
libxc!557
· created
Apr 11, 2022
by
Susi Lehtola
8.0.0
master
Bug
1
updated
Oct 13, 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
Fix "Functional '%s' does not provide an implementation of vxc" for CUDA
libxc!555
· created
Mar 14, 2022
by
Igor S. Gerasimov
master
1
updated
Mar 14, 2022
Forgot to reorganize parameter descriptions in aaec199465fd2f369082a81f8a816153c339bf1a
libxc!554
· created
Mar 10, 2022
by
Susi Lehtola
6.0.0
master
Merged
1
updated
Mar 10, 2022
Remove code duplication by new hybrid setters
libxc!553
· created
Mar 09, 2022
by
Susi Lehtola
6.0.0
master
Merged
2
updated
Mar 10, 2022
Draft: Use constant pointers to constant data instead of constant pointers to variable data.
libxc!552
· created
Mar 08, 2022
by
Susi Lehtola
master
1
updated
Oct 13, 2022
More consistent comments for Minnesota functionals
libxc!551
· created
Mar 04, 2022
by
Susi Lehtola
master
Merged
updated
Mar 05, 2022
Commas in functional comments were unintentionally replaced by pipes
libxc!550
· created
Mar 04, 2022
by
Susi Lehtola
6.0.0
master
Merged
updated
Mar 04, 2022
Changes to lda_c_chachiyo require remapling gga_c_chachiyo
libxc!549
· created
Mar 04, 2022
by
Susi Lehtola
6.0.0
master
Merged
1
updated
Mar 04, 2022
Make pointer checks in maple2c consistent
libxc!548
· created
Mar 03, 2022
by
Susi Lehtola
6.0.0
master
Merged
updated
Mar 03, 2022
Cleanups and fixes
libxc!547
· created
Feb 28, 2022
by
Susi Lehtola
6.0.0
master
Merged
1
updated
Mar 03, 2022
Rectify implementation of lda_c_karasiev and lda_c_karasiev_mod.
libxc!546
· created
Feb 28, 2022
by
Susi Lehtola
6.0.0
master
Merged
1
updated
Mar 04, 2022
Make possible to change range-separated parameters of CAMY-B3LYP
libxc!545
· created
Feb 23, 2022
by
Igor S. Gerasimov
6.0.0
master
Merged
29
updated
Mar 10, 2022
Some fixes for GPUs for split_maple2c branch
libxc!544
· created
Feb 22, 2022
by
Igor S. Gerasimov
split_maple2c
Merged
updated
Feb 25, 2022
cmake updates: rpath, vars, xhost, pkgconfig
libxc!543
· created
Feb 21, 2022
by
Lori A. Burns
master
Merged
8
updated
Mar 14, 2022
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