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libxc
Merge requests
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564
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Priority
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
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
Implement short-range LDA correlation as well as short-range PBE exchange and...
libxc!542
· created
Feb 17, 2022
by
Susi Lehtola
8.0.0
master
Functional request
Merged
1
updated
Oct 13, 2022
wB97M-V uses set_ext_params instead of hardcoded in maple
libxc!541
· created
Feb 09, 2022
by
Yi Yao
6.0.0
master
Merged
6
updated
Dec 14, 2022
Resolve "Implement VCML-rVV10"
libxc!539
· created
Feb 07, 2022
by
Susi Lehtola
6.0.0
master
Functional request
Merged
updated
Feb 08, 2022
Compile dedicated variants for each number of computed derivatives
libxc!538
· created
Feb 03, 2022
by
Susi Lehtola
6.0.0
master
Core
Merged
30
updated
May 11, 2022
Resolve "Fortran interface for printing references"
libxc!537
· created
Jan 31, 2022
by
Susi Lehtola
5.2.1
master
Bug
Fortran interfaces
Merged
updated
Feb 01, 2022
Add .gitattributes [skip ci]
libxc!536
· created
Jan 31, 2022
by
Eisuke Kawashima
master
Merged
updated
Feb 01, 2022
Update DOI URLs
libxc!535
· created
Jan 29, 2022
by
Eisuke Kawashima
master
Merged
1
updated
Jan 29, 2022
fix flake8
libxc!534
· created
Jan 29, 2022
by
Eisuke Kawashima
master
Merged
1
updated
Jan 29, 2022
Fix #372: the final Maple files didn't get included in !350 for some reason!
libxc!532
· created
Jan 27, 2022
by
Susi Lehtola
5.2.1
master
Merged
updated
Feb 01, 2022
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