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Updated date
Various improvements
!371
· created
Nov 21, 2020
by
Susi Lehtola
5.1.0
master
Merged
updated
Jan 18, 2021
Fortran interfaces for the threshold setters
!380
· created
Nov 24, 2020
by
Susi Lehtola
5.1.0
master
Merged
updated
Jan 18, 2021
Import hyllios' change of initialization order from the debug_deorbitalize branch
!379
· created
Nov 24, 2020
by
Susi Lehtola
5.1.0
master
Merged
updated
Jan 18, 2021
Resolve "get_references is eating characters"
!381
· created
Nov 24, 2020
by
Miguel Marques
5.1.0
master
Merged
updated
Jan 18, 2021
Resolve "Possible inconsistency in gga_k_gds08"
!382
· created
Nov 25, 2020
by
Miguel Marques
5.1.0
master
Bug
Merged
updated
Jan 18, 2021
Avoid singular point at zero in integrand. This should solve issue #230
!386
· created
Dec 05, 2020
by
Miguel Marques
5.1.0
master
Merged
updated
Jan 18, 2021
Fix remaple errors caused by !387
!390
· created
Dec 08, 2020
by
Susi Lehtola
5.1.0
master
Merged
4
updated
Jan 18, 2021
Resolve "Argument cannot be 0.0 in expint_e1 in lda_x_1d_exponential"
!392
· created
Dec 08, 2020
by
Miguel Marques
5.1.0
master
Bug
Merged
1
updated
Jan 18, 2021
Resolve "Overflow in 'mgga_c_revscan.c', 'mgga_c_rscan.c', 'mgga_x_scan.c', 'mgga_c_scan.c', 'mgga_x_rscan.c'"
!394
· created
Dec 09, 2020
by
Susi Lehtola
5.1.0
master
Merged
updated
Jan 18, 2021
Resolve "Deorbitalized functionals are not working"
!395
· created
Dec 09, 2020
by
Susi Lehtola
5.1.0
master
Bug
Core
Merged
3
updated
Jan 18, 2021
r2SCAN-L functionals
!344
· created
Nov 05, 2020
by
Susi Lehtola
5.1.0
master
Merged
updated
Jan 18, 2021
Resolve "Allow generating only first derivatives for vxc functionals"
!391
· created
Dec 08, 2020
by
Miguel Marques
5.1.0
master
Merged
9
updated
Jan 18, 2021
I made something stupid before. I forgot that xc-get-data returns the energy...
!400
· created
Dec 11, 2020
by
Miguel Marques
5.1.0
master
Merged
4
updated
Jan 18, 2021
The mgga_k_pc07 code was not handling mgga_k_pc07_opt properly
!399
· created
Dec 10, 2020
by
Susi Lehtola
5.1.0
master
Merged
updated
Jan 18, 2021
Resolve "gga_k_gds08 broken in master"
!397
· created
Dec 10, 2020
by
Miguel Marques
5.1.0
master
Merged
4
updated
Jan 18, 2021
Implement revSSB-D
!401
· created
Dec 14, 2020
by
Susi Lehtola
5.1.0
master
Merged
1
updated
Jan 18, 2021
gga_c_lm rewrite
!389
· created
Dec 07, 2020
by
Susi Lehtola
5.1.0
master
Merged
9
updated
Jan 18, 2021
Optimize the attenuation cutoffs
!393
· created
Dec 09, 2020
by
Susi Lehtola
5.1.0
master
Merged
updated
Jan 18, 2021
Rewrite attenuation functions with numerically exact Taylor expansions
!383
· created
Nov 30, 2020
by
Susi Lehtola
5.1.0
master
Merged
updated
Jan 18, 2021
Initialize sigma threshold to density threshold
!385
· created
Nov 30, 2020
by
Susi Lehtola
5.1.0
master
Merged
13
updated
Jan 18, 2021
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