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libxc
libxc
Merge requests
Open
26
Merged
552
Closed
54
All
632
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Updated date
Explicitly set C99 standard in configure.ac
!574
· created
Jun 27, 2022
by
Susi Lehtola
master
Closed
2
updated
Feb 29, 2024
Draft: Resolve "Numerical Stability Issues in B3LYP Second Derivatives"
!603
· created
Jan 26, 2023
by
Susi Lehtola
master
Closed
1
updated
Feb 28, 2024
Implement machine learned mGGA functionals from Kovács et al
!600
· created
Jan 09, 2023
by
Ph03n1xdust
6.2.0
master
Functional request
Closed
2
updated
May 26, 2023
Draft: Resolve "mgga_x_bj06 and mgga_x_tb09 are wrong"
!611
· created
Feb 10, 2023
by
Susi Lehtola
master
Closed
updated
Feb 10, 2023
Draft: Resolve "gga_x_herman is incorrect"
!597
· created
Dec 08, 2022
by
Miguel Marques
master
Bug
Closed
1
updated
Jan 09, 2023
Draft: Resolve "XC_FLAGS_NEEDS_TAU is not in Fortran interface"
!595
· created
Nov 28, 2022
by
Miguel Marques
master
Closed
updated
Nov 28, 2022
Ensure autotools checks for C99 compatibility
!464
· created
Mar 03, 2021
by
Susi Lehtola
master
Closed
1
updated
Nov 18, 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
Some older compilers have problems with variables declared inside the for loop.
!573
· created
Jun 27, 2022
by
Miguel Marques
master
Closed
1
updated
Jun 27, 2022
Introduce lcc toolchain file for crosscompiling
!533
· created
Jan 28, 2022
by
Igor S. Gerasimov
master
Closed
3
updated
Mar 08, 2022
added lda/pbe short-range exchange and correlation functionals
!540
· created
Feb 09, 2022
by
Henryk Laqua
master
Closed
74
updated
Mar 08, 2022
Make processor specific optimization flag checks compiler dependent
!518
· created
Dec 07, 2021
by
Susi Lehtola
5.2.0
master
Closed
5
updated
Jan 19, 2022
Avoid unneeded recompilations
!521
· created
Jan 13, 2022
by
Jellby
master
Closed
3
updated
Jan 19, 2022
Fix reading of NULL pointers in Fortran if no references are
!514
· created
Dec 05, 2021
by
Igor S. Gerasimov
master
Closed
1
updated
Dec 06, 2021
WIP: Resolve "Even more functionals by Jana et al"
!298
· created
Apr 15, 2020
by
Miguel Marques
5.1.7
master
Functional request
Closed
4
updated
Sep 18, 2021
Explictly mark tau dependence on meta-GGAs
!495
· created
Sep 04, 2021
by
Miguel Marques
master
Closed
updated
Sep 04, 2021
comment unused variables when using cuda mode
!486
· created
Jul 09, 2021
by
Alfredo Correa
master
Closed
1
updated
Jul 09, 2021
Update functional.py: fix typos
!443
· created
Jan 20, 2021
by
Артем Глубшев
master
Closed
4
2
updated
Jan 20, 2021
Draft: Fix range-separated DFT part in CAM-O3LYP
!439
· created
Jan 15, 2021
by
Susi Lehtola
master
Closed
4
updated
Jan 15, 2021
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