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Created date
Some fixes for GPUs for split_maple2c branch
!544
· created
Feb 22, 2022
by
Igor S. Gerasimov
split_maple2c
Merged
updated
Feb 25, 2022
cmake updates: rpath, vars, xhost, pkgconfig
!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...
!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
!541
· created
Feb 09, 2022
by
Yi Yao
6.0.0
master
Merged
6
updated
Dec 14, 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
Resolve "Implement VCML-rVV10"
!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
!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"
!537
· created
Jan 31, 2022
by
Susi Lehtola
5.2.1
master
Bug
Fortran interfaces
Merged
updated
Feb 01, 2022
Add .gitattributes [skip ci]
!536
· created
Jan 31, 2022
by
Eisuke Kawashima
master
Merged
updated
Feb 01, 2022
Update DOI URLs
!535
· created
Jan 29, 2022
by
Eisuke Kawashima
master
Merged
1
updated
Jan 29, 2022
fix flake8
!534
· created
Jan 29, 2022
by
Eisuke Kawashima
master
Merged
1
updated
Jan 29, 2022
Introduce lcc toolchain file for crosscompiling
!533
· created
Jan 28, 2022
by
Igor S. Gerasimov
master
Closed
3
updated
Mar 08, 2022
Fix #372: the final Maple files didn't get included in !350 for some reason!
!532
· created
Jan 27, 2022
by
Susi Lehtola
5.2.1
master
Merged
updated
Feb 01, 2022
Drop libxc_docs.txt from repo
!531
· created
Jan 25, 2022
by
Susi Lehtola
master
Merged
updated
Jan 26, 2022
Mention reLYP in GGA_C_TM_LYP
!530
· created
Jan 25, 2022
by
Susi Lehtola
master
Merged
updated
Jan 25, 2022
Resolve "Implement BR3P86"
!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.
!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
!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
!526
· created
Jan 20, 2022
by
Susi Lehtola
5.2.0
master
Merged
updated
Jan 20, 2022
Implement auxiliary function accessors
!525
· created
Jan 19, 2022
by
Susi Lehtola
5.2.0
master
Merged
1
updated
Jan 25, 2022
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