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libxc
libxc
Merge requests
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0
Merged
28
Closed
2
All
30
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Updated date
wB97M-V uses set_ext_params instead of hardcoded in maple
!541
· created
Feb 09, 2022
by
Yi Yao
6.0.0
master
Merged
6
updated
Dec 14, 2022
Implement gga_x_ncapr
!581
· created
Oct 13, 2022
by
Susi Lehtola
6.0.0
master
Functional request
Merged
updated
Oct 14, 2022
xc-threshold should not be installed
!584
· created
Oct 13, 2022
by
Susi Lehtola
6.0.0
master
Merged
updated
Oct 13, 2022
Add note in code about HCTH/147 c5 parameter value
!570
· created
Jun 10, 2022
by
Susi Lehtola
6.0.0
master
Merged
updated
Oct 13, 2022
Add functionality to access BibTeX reference keys from Libxc
!572
· created
Jun 20, 2022
by
Susi Lehtola
6.0.0
master
Merged
1
updated
Oct 13, 2022
Use same bibtex key scheme for errata as for the original manuscript
!579
· created
Jul 26, 2022
by
Susi Lehtola
6.0.0
master
Merged
1
updated
Oct 13, 2022
Fix Fortran compiler detection in automake
!583
· created
Oct 13, 2022
by
Susi Lehtola
6.0.0
master
Merged
updated
Oct 13, 2022
CASE21 journal reference
!577
· created
Jul 23, 2022
by
Susi Lehtola
6.0.0
master
Documentation
Merged
1
updated
Aug 16, 2022
Implement B97-3c
!580
· created
Aug 02, 2022
by
Susi Lehtola
6.0.0
master
Functional request
Closed
1
updated
Aug 04, 2022
Add b97-3c functional
!576
· created
Jul 23, 2022
by
Shirong Wang
6.0.0
master
Functional request
Closed
19
updated
Aug 03, 2022
Implement PBE and TPSS with parameters from Gaussian
!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"
!564
· created
May 18, 2022
by
Susi Lehtola
6.0.0
master
Functional request
Merged
updated
Jun 13, 2022
Fix an incorrect year in a reference
!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
!567
· created
May 26, 2022
by
Susi Lehtola
6.0.0
master
Documentation
Merged
updated
May 26, 2022
Tidy up an entry in the bibliography.
!556
· created
Apr 11, 2022
by
Susi Lehtola
6.0.0
master
Documentation
Merged
1
updated
May 26, 2022
Functional simplification with my_piecewise5 and improved gga_c_revtca
!559
· created
May 09, 2022
by
Susi Lehtola
6.0.0
master
Merged
updated
May 11, 2022
Remaple mgga_xc_b97mv and hyb_mgga_xc_wb97mv (issue 401).
!560
· created
May 11, 2022
by
Susi Lehtola
6.0.0
master
Bug
Merged
updated
May 11, 2022
Compile dedicated variants for each number of computed derivatives
!538
· created
Feb 03, 2022
by
Susi Lehtola
6.0.0
master
Core
Merged
30
updated
May 11, 2022
Implement a version of PBE exchange with fewer decimals for beta.
!558
· created
Apr 25, 2022
by
Susi Lehtola
6.0.0
master
Functional request
Merged
1
updated
May 03, 2022
Forgot to reorganize parameter descriptions in aaec199465fd2f369082a81f8a816153c339bf1a
!554
· created
Mar 10, 2022
by
Susi Lehtola
6.0.0
master
Merged
1
updated
Mar 10, 2022
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