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zerothi
/
sisl
Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
https://zerothi.github.io/sisl
Mozilla Public License 2.0
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Allow `State.degenerate_decouple`
#802
zerothi
opened
1 week ago
0
First try at automated data CLI
#801
pfebrer
opened
1 week ago
1
#496 seems broken on 3.12
#800
zerothi
closed
1 week ago
3
sisl.viz.FatBandsPlot error in fatbands_mode = 'line/scatter'
#799
rreho
opened
1 week ago
15
Docs formatting issue: Missing argument for `\mathbf`
#798
tfrederiksen
closed
1 week ago
2
766 shc
#797
zerothi
closed
1 week ago
26
Clarify out of memory error on density
#796
pfebrer
closed
2 weeks ago
0
sisl release policy
#794
tfrederiksen
opened
2 weeks ago
5
adding test for parallel calculation
#793
zerothi
closed
2 weeks ago
1
trying to remove numpy 2 (as a temporary work-around)
#792
zerothi
closed
2 weeks ago
0
numpy 2.0 released -- need to bump stuff
#791
zerothi
opened
2 weeks ago
1
fixed lots of parallel calculations
#790
zerothi
closed
2 weeks ago
19
Bump pypa/gh-action-pypi-publish from 1.8.14 to 1.9.0
#789
dependabot[bot]
closed
2 weeks ago
0
Bump pypa/cibuildwheel from 2.18 to 2.19
#788
dependabot[bot]
closed
2 weeks ago
6
Clarify viz dependencies error
#787
pfebrer
closed
2 weeks ago
0
Allow custom color scales across sisl.viz
#786
pfebrer
closed
3 weeks ago
1
Custom colormaps for 3D plots
#785
saru1799
closed
3 weeks ago
3
Legend grouping in bands plots
#784
pfebrer
closed
1 month ago
1
Listify breaks documentation
#783
pfebrer
closed
1 month ago
8
eigenvalues from hamiltonian in presence of magnetic field
#782
masume70
closed
3 days ago
2
Allow tuning matplotlib subplots.
#781
pfebrer
closed
1 month ago
1
Allow dash to be set in bands plots.
#780
pfebrer
closed
1 month ago
4
fixed reading geometries from fdf + XV + STRUCT
#779
zerothi
closed
1 month ago
24
Fix the basis when reading from XV
#778
pfebrer
closed
1 month ago
10
WIP: Facilitate the creation of combined plots
#777
pfebrer
opened
1 month ago
9
Add support for sisl in nodify's GUI
#776
pfebrer
closed
1 month ago
1
Merging Atom/Orbital etc.
#775
zerothi
opened
1 month ago
1
Bump JamesIves/github-pages-deploy-action from 4.6.0 to 4.6.1
#774
dependabot[bot]
closed
1 month ago
0
Dihedral angles
#773
tfrederiksen
closed
1 month ago
3
Removed deprecated argument `diag->projection`
#772
tfrederiksen
closed
1 month ago
1
Removed leftover print
#771
pfebrer
closed
1 month ago
0
Disentangle overlap matrix and *other matrices*
#770
zerothi
opened
1 month ago
0
Bump pypa/cibuildwheel from 2.17 to 2.18
#769
dependabot[bot]
closed
1 month ago
0
Added trace of M*overlap
#768
pfebrer
opened
1 month ago
8
fixed pbc usage across sisl, fixes #764
#767
zerothi
closed
1 month ago
4
Transport routines within the kubo approach
#766
apezol
closed
1 week ago
16
Modifying the returns of the neighbor finder
#765
pfebrer
closed
3 weeks ago
8
`translate2uc` should use boundary conditions (?)
#764
pfebrer
closed
1 month ago
7
changed phonon displacement shape
#763
zerothi
closed
2 months ago
3
CI also run on minimal installation
#762
zerothi
closed
2 months ago
0
removed 3.8 support, bumped min to 3.9
#761
zerothi
closed
2 months ago
1
Writing Hamiltonian with sisl from Wannier
#760
monx-ne
closed
1 month ago
3
Removed nodes from `sisl`
#759
pfebrer
closed
2 months ago
26
Added declaration of some attributes in Figure
#758
pfebrer
closed
2 months ago
0
Plot update on getting attributes
#757
pfebrer
closed
2 months ago
2
Streamlining spin/index arguments on `read_grid` methods
#756
zerothi
opened
2 months ago
0
Bump JamesIves/github-pages-deploy-action from 4.5.0 to 4.6.0
#755
dependabot[bot]
closed
2 months ago
0
Reading spin densities from CHGCAR
#754
tfrederiksen
closed
2 months ago
6
removed sisl.plot from the code base
#753
zerothi
closed
2 months ago
1
added hexagonal and goldene
#752
zerothi
closed
2 months ago
1
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