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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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Custom colormaps for 3D plots
#785
saru1799
closed
3 months ago
3
Legend grouping in bands plots
#784
pfebrer
closed
4 months ago
1
Listify breaks documentation
#783
pfebrer
closed
4 months ago
8
eigenvalues from hamiltonian in presence of magnetic field
#782
masume70
closed
3 months ago
2
Allow tuning matplotlib subplots.
#781
pfebrer
closed
4 months ago
1
Allow dash to be set in bands plots.
#780
pfebrer
closed
4 months ago
4
fixed reading geometries from fdf + XV + STRUCT
#779
zerothi
closed
4 months ago
24
Fix the basis when reading from XV
#778
pfebrer
closed
4 months ago
10
WIP: Facilitate the creation of combined plots
#777
pfebrer
opened
4 months ago
9
Add support for sisl in nodify's GUI
#776
pfebrer
closed
4 months ago
1
Merging Atom/Orbital etc.
#775
zerothi
opened
4 months ago
1
Bump JamesIves/github-pages-deploy-action from 4.6.0 to 4.6.1
#774
dependabot[bot]
closed
4 months ago
0
Dihedral angles
#773
tfrederiksen
closed
4 months ago
3
Removed deprecated argument `diag->projection`
#772
tfrederiksen
closed
4 months ago
1
Removed leftover print
#771
pfebrer
closed
4 months ago
0
Disentangle overlap matrix and *other matrices*
#770
zerothi
opened
4 months ago
0
Bump pypa/cibuildwheel from 2.17 to 2.18
#769
dependabot[bot]
closed
4 months ago
0
Added trace of M*overlap
#768
pfebrer
opened
4 months ago
8
fixed pbc usage across sisl, fixes #764
#767
zerothi
closed
4 months ago
4
Transport routines within the kubo approach
#766
apezol
closed
3 months ago
16
Modifying the returns of the neighbor finder
#765
pfebrer
closed
3 months ago
8
`translate2uc` should use boundary conditions (?)
#764
pfebrer
closed
4 months ago
7
changed phonon displacement shape
#763
zerothi
closed
5 months ago
3
CI also run on minimal installation
#762
zerothi
closed
5 months ago
0
removed 3.8 support, bumped min to 3.9
#761
zerothi
closed
5 months ago
1
Writing Hamiltonian with sisl from Wannier
#760
monx-ne
closed
4 months ago
3
Removed nodes from `sisl`
#759
pfebrer
closed
5 months ago
26
Added declaration of some attributes in Figure
#758
pfebrer
closed
5 months ago
0
Plot update on getting attributes
#757
pfebrer
closed
5 months ago
2
Streamlining spin/index arguments on `read_grid` methods
#756
zerothi
opened
5 months ago
0
Bump JamesIves/github-pages-deploy-action from 4.5.0 to 4.6.0
#755
dependabot[bot]
closed
5 months ago
0
Reading spin densities from CHGCAR
#754
tfrederiksen
closed
5 months ago
6
removed sisl.plot from the code base
#753
zerothi
closed
5 months ago
1
added hexagonal and goldene
#752
zerothi
closed
5 months ago
1
made State.inner a very flexible matrix product
#751
zerothi
closed
5 months ago
3
`norm2` as atom-resolved quantity
#750
tfrederiksen
closed
5 months ago
3
Ensure c-order for `Geometry` coordinates
#749
tfrederiksen
closed
5 months ago
2
`Geometry ` coordinates as f-contiguous array
#748
tfrederiksen
closed
5 months ago
4
Ufuncs could support external classes
#747
pfebrer
opened
5 months ago
4
745 rtd files
#746
zerothi
closed
5 months ago
0
Sisl files not available in readthedocs documentation
#745
pfebrer
closed
5 months ago
18
Change neighborfinder returns to a tuple of indices and supercell indices
#744
zerothi
closed
3 months ago
21
Added specific functions to create animations and subplots
#743
pfebrer
closed
5 months ago
1
Draft: add vectorsSileSIESTA for parsing vibra output
#742
nils-wittemeier
closed
4 months ago
23
use tocartesian
#741
masume70
closed
5 months ago
11
how can i use param_circle for graphene
#740
masume70
closed
5 months ago
4
Ensure __module__ is fine on node class creation
#739
pfebrer
closed
5 months ago
1
Pre-commit hook to add license
#738
pfebrer
closed
6 months ago
1
added math notation convention
#737
zerothi
closed
5 months ago
16
Some polishing of `sisl.nodes`
#736
pfebrer
closed
6 months ago
6
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