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libxc
Merge requests
Open
27
Merged
563
Closed
54
All
644
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Created date
Replace 'forall' in Fortran interface
libxc!641
· created
Apr 03, 2024
by
Susi Lehtola
Merged
updated
Apr 03, 2024
Changes from stable
libxc!640
· created
Apr 02, 2024
by
Susi Lehtola
Merged
updated
Apr 02, 2024
Roll back Fortran and Python frontends
libxc!639
· created
Apr 02, 2024
by
Susi Lehtola
stable
Merged
updated
Apr 02, 2024
Merge from stable
libxc!638
· created
Apr 01, 2024
by
Susi Lehtola
Merged
updated
Apr 01, 2024
Add default issue template due to multitude of erroneous and incomplete bug reports.
libxc!637
· created
Apr 01, 2024
by
Susi Lehtola
stable
Merged
updated
Apr 01, 2024
Merge stable to devel
libxc!636
· created
Mar 22, 2024
by
Susi Lehtola
Merged
updated
Mar 22, 2024
Fix link to manual
libxc!635
· created
Mar 22, 2024
by
Susi Lehtola
stable
Merged
updated
Mar 22, 2024
Merge changes from stable to devel
libxc!634
· created
Mar 14, 2024
by
Susi Lehtola
Merged
updated
Mar 14, 2024
Add missing xc_mgga_new interface to xc.h
libxc!633
· created
Mar 13, 2024
by
Vladimir Mironov
Merged
1
updated
Mar 14, 2024
Include basic documentation on how to add functionals
libxc!632
· created
Mar 13, 2024
by
Susi Lehtola
stable
Documentation
Merged
updated
Mar 13, 2024
WIP: Introduce flag to control enforcement of Fermi hole curvature
libxc!631
· created
Feb 29, 2024
by
Susi Lehtola
7.0.0
Core
updated
Mar 01, 2024
Implemented hyb_gga_xc_opb3lyp
libxc!630
· created
Feb 29, 2024
by
Susi Lehtola
7.0.0
Functional request
Merged
updated
Feb 29, 2024
API restoration from stable branch
libxc!629
· created
Feb 28, 2024
by
Susi Lehtola
Core
Merged
updated
Feb 28, 2024
Undo breaking API changes introduced in master branch
libxc!628
· created
Feb 28, 2024
by
Susi Lehtola
7.0.0
stable
Core
Merged
updated
Feb 28, 2024
Implement mgga_x_eel, the exact exchange-like meta-GGA by Aschebrock et al.
libxc!627
· created
Jan 03, 2024
by
Susi Lehtola
7.0.0
master
Functional request
Merged
updated
Jan 12, 2024
fix: add function prototypes
libxc!626
· created
Nov 13, 2023
by
Eisuke Kawashima
master
Merged
2
updated
Nov 13, 2023
fix: correct INTENT
libxc!625
· created
Nov 13, 2023
by
Eisuke Kawashima
7.0.0
master
Merged
1
updated
Nov 13, 2023
Implement lda_c_epc18
libxc!624
· created
Nov 10, 2023
by
Susi Lehtola
7.0.0
master
Merged
updated
Nov 10, 2023
Implement lda_c_epc17
libxc!623
· created
Nov 03, 2023
by
Susi Lehtola
7.0.0
master
Functional request
Merged
updated
Nov 06, 2023
Do not include xc_funcs.h and xc_funcs_removed.h in the main header.
libxc!622
· created
Oct 19, 2023
by
Susi Lehtola
8.0.0
master
Core
Merged
updated
Nov 06, 2023
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