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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 21, 2024
.
forwarddiff-nonlinearity-optim-example
31aad158
·
Add nonlinearity forwarddiff example sketch
·
Nov 17, 2022
github/fork/epolack/phonon
e067ed03
·
ugly draft for phonon computations
·
Nov 22, 2022
!752
github/fork/epolack/ewald
2061700d
·
computation of the Fourier transform of the force constant of Ewald
·
Nov 23, 2022
!762
ferminlcc
42996524
·
adapt
·
Dec 01, 2022
github/fork/epolack/scf_default
102f20fb
·
switching default scf solver
·
Dec 06, 2022
!791
github/fork/epolack/supercell_fix
9c52f7ff
·
tolerance fix for mac & win
·
Dec 07, 2022
!775
add-gitlab
ade2f3a8
·
Update .gitlab-ci.yml
·
Dec 12, 2022
tol_density
d98a49ae
·
Expand SCF docstring
·
Dec 13, 2022
aseconvert
9b959e92
·
gitlab
·
Dec 20, 2022
remove_deprecated
743525a7
·
Remove deprecated features
·
Dec 20, 2022
!517
remove_load
e835db66
·
Add extra test dependencies
·
Dec 21, 2022
timeprint
4fc22362
·
Update scf_callbacks.jl
·
Jan 04, 2023
precompilation
6f07972c
·
Merge branch 'master' into precompilation
·
Jan 05, 2023
fermialg
c152c0c2
·
Central FD
·
Jan 15, 2023
!792
fermialg_extended
765bad13
·
Extend occupation
·
Jan 15, 2023
compathelper/new_version/2023-01-20-00-54-10-396-02562796889
ece126df
·
CompatHelper: bump compat for AtomsBase to 0.3, (keep existing compat)
·
Jan 20, 2023
xcgpu
26273aa1
·
Bump version: 0.6.2 → 0.6.3
·
Jan 30, 2023
atomsbase3
8bcda136
·
Bump version: 0.6.3 → 0.6.4
·
Feb 06, 2023
modelup
b85d6be9
·
Review
·
Feb 09, 2023
check_symmetries_forwarddiff
ec9b855b
·
Filter the symmetries when using ForwardDiff
·
Feb 10, 2023
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