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libxc
Merge requests
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Drop libxc_docs.txt from repo
libxc!531
· created
Jan 25, 2022
by
Susi Lehtola
master
Merged
updated
Jan 26, 2022
Mention reLYP in GGA_C_TM_LYP
libxc!530
· created
Jan 25, 2022
by
Susi Lehtola
master
Merged
updated
Jan 25, 2022
Resolve "Implement BR3P86"
libxc!529
· created
Jan 25, 2022
by
Susi Lehtola
6.0.0
master
Functional request
Merged
2
updated
Feb 08, 2022
Final literature reference for r++SCAN and r4SCAN.
libxc!528
· created
Jan 24, 2022
by
Susi Lehtola
6.0.0
master
Merged
updated
Mar 04, 2022
hyb_mgga_xc_lc_tmlyp is an xc not an x functional
libxc!527
· created
Jan 20, 2022
by
Susi Lehtola
master
Merged
updated
Jan 20, 2022
libxcf03.f90 is a preprocessed version of libxc_master.F90 and shouldn't be in the repo
libxc!526
· created
Jan 20, 2022
by
Susi Lehtola
5.2.0
master
Merged
updated
Jan 20, 2022
Implement auxiliary function accessors
libxc!525
· created
Jan 19, 2022
by
Susi Lehtola
5.2.0
master
Merged
1
updated
Jan 25, 2022
The enforcement of the Fermi hole curvature can now be switched off at configure time.
libxc!524
· created
Jan 14, 2022
by
Susi Lehtola
5.2.0
master
Merged
8
updated
Jan 19, 2022
Include generated files in the repository to avoid unnecessary recompiles
libxc!523
· created
Jan 13, 2022
by
Susi Lehtola
5.2.0
master
Merged
11
updated
Jan 20, 2022
Header file shouldn't depend on availability of derivatives in the compiled version
libxc!522
· created
Jan 13, 2022
by
Susi Lehtola
5.2.0
master
Merged
1
updated
Jan 19, 2022
Fix flipped parameter descriptions in wb97 style functionals (#363)
libxc!520
· created
Dec 29, 2021
by
Susi Lehtola
5.2.0
master
Merged
updated
Jan 20, 2022
Improve documentation on lda_x_erf and lda_x_yukawa
libxc!519
· created
Dec 08, 2021
by
Susi Lehtola
5.2.0
master
Documentation
Merged
updated
Dec 08, 2021
Avoid long lines in f90 include file
libxc!517
· created
Dec 06, 2021
by
Jellby
5.2.0
master
Merged
2
updated
Dec 07, 2021
Add missing factor (1-z^2) in lda_c_pmgb06 (#360)
libxc!516
· created
Dec 06, 2021
by
Susi Lehtola
5.2.0
master
Merged
2
updated
Dec 08, 2021
Handle null pointer reference in F90 wrapper, suggestion by Igor S. Gerasimov.
libxc!515
· created
Dec 06, 2021
by
Susi Lehtola
5.2.0
master
Merged
1
updated
Jan 28, 2022
Implement mgga_x_ft98
libxc!512
· created
Dec 02, 2021
by
Susi Lehtola
5.2.0
master
Merged
1
updated
Dec 07, 2021
mTASK paper has been published already in June
libxc!510
· created
Oct 29, 2021
by
Susi Lehtola
5.2.0
master
Merged
updated
Oct 29, 2021
Use static array size in case21 implementation
libxc!509
· created
Oct 24, 2021
by
Susi Lehtola
5.2.0
master
Merged
updated
Jan 20, 2022
references should NOT be updated automatically
libxc!508
· created
Oct 24, 2021
by
Susi Lehtola
5.1.7
master
Core
Merged
1
updated
Oct 24, 2021
Translate Perl scripts to Python
libxc!507
· created
Oct 24, 2021
by
Susi Lehtola
master
Merged
1
updated
Jan 31, 2022
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