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Michael Herbst
DFTK.jl
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This project is mirrored from
https://*****@github.com/JuliaMolSim/DFTK.jl.git
. Pull mirroring updated
May 17, 2024
.
remove_deprecated
743525a7
·
Remove deprecated features
·
Dec 20, 2022
!517
aseconvert
9b959e92
·
gitlab
·
Dec 20, 2022
tol_density
d98a49ae
·
Expand SCF docstring
·
Dec 13, 2022
add-gitlab
ade2f3a8
·
Update .gitlab-ci.yml
·
Dec 12, 2022
github/fork/epolack/supercell_fix
9c52f7ff
·
tolerance fix for mac & win
·
Dec 07, 2022
!775
github/fork/epolack/scf_default
102f20fb
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switching default scf solver
·
Dec 06, 2022
!791
ferminlcc
42996524
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adapt
·
Dec 01, 2022
github/fork/epolack/ewald
2061700d
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computation of the Fourier transform of the force constant of Ewald
·
Nov 23, 2022
!762
github/fork/epolack/phonon
e067ed03
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ugly draft for phonon computations
·
Nov 22, 2022
!752
forwarddiff-nonlinearity-optim-example
31aad158
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Add nonlinearity forwarddiff example sketch
·
Nov 17, 2022
github/fork/azadoks/nlcc
253a4405
·
Scrub URLs to PseudoLibrary
·
Nov 14, 2022
!766
debug_mode
b7943bcf
·
Edit from Antoine
·
Oct 11, 2022
adaptive_sternheimer
06f7cc0e
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Params
·
Oct 02, 2022
!737
github/fork/BKaperick/hybrid_functionals
b3d650c2
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Michael comments part 1
·
Sep 24, 2022
!717
github/fork/msdupuy/ad-diis
61a84504
·
fixed maxcond parameter
·
Sep 06, 2022
!719
zygote-xc
792e098f
·
add further fixes for zygote + gga xc
·
Sep 05, 2022
zygote-scf
57958f87
·
add pending PR
·
Aug 29, 2022
zygote-scf-fixtests
451f3154
·
Rm fixed Zygote mwe
·
Aug 16, 2022
zygote-juliacon
4339be1c
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Merge branch 'mtowara-zygote-juliacon' into zygote-juliacon
·
Jul 25, 2022
github/fork/umbriquse/psptm
73e6f88c
·
File Used To Determine T-M Accuracy
·
Jul 24, 2022
!399
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