zerothi/sisl

Issues

• Stress can not be read from a siesta out file: si.io.siesta.stdoutSileSiesta

  #832 opened 5 months ago by mbrandbyge
  7

• Document plot handlers.

  #838 opened 5 months ago by pfebrer
  5

• Remove cubefile creation in tutorials and add cube to gitignore

  #842 opened 5 months ago by zerothi
  1

• Issue with ncSileSiestancSileSiesta

  #840 opened 6 months ago by novidad21
  5

• Handling different `order` arguments for sub-calls in fdf reads

  #841 opened 6 months ago by zerothi
  0

• Allow `Ellipsis` where it makes sense

  #835 opened 6 months ago by zerothi
  0

• Layout of `DynamicalMatrix`

  #831 opened 6 months ago by tfrederiksen
  1

• Change `tbt.Eindex` to only work for float

  #829 opened 6 months ago by zerothi
  4

• tests running with FORTRAN=OFF

  #718 opened 6 months ago by zerothi
  1

• Difference between Hamiltonian from .HSX and .TSHS files

  #826 opened 6 months ago by AsymmetryChou
  18

• read_fermi_level function on .HSX sile returns inf with siesta-rel-5.0

  #828 opened 6 months ago by AleksBL
  7

• Slightly wrong energy written to TBTGF by sisl?

  #827 opened 6 months ago by AleksBL
  10

• I-V curve with tbtrans

  #820 opened 7 months ago by masume70
  3

• Atoms that contribute to the density not correctly found

  #821 opened 7 months ago by pfebrer
  4

• sisl release policy

  #794 opened 7 months ago by tfrederiksen
  6

• Generalized `Operators`

  #816 opened 8 months ago by zerothi
  6

• Allow a caching object that can cache specific entries

  #815 opened 8 months ago by zerothi
  6

• Don't remove `Atoms.specie`

  #814 opened 8 months ago by pfebrer
  3

• Minor terms missing for off-diagonal derivative calculations

  #813 opened 8 months ago by zerothi
  0

• lorbit10 files not tested?

  #811 opened 8 months ago by zerothi
  5

• In ORCA 6 `_property.txt` -> `.property.txt`

  #810 opened 8 months ago by zerothi
  2

• Writing Hamiltonian to netcdf

  #808 opened 8 months ago by tfrederiksen
  32

• sisl.viz.FatBandsPlot error in fatbands_mode = 'line/scatter'

  #799 opened 8 months ago by rreho
  16

• numpy 2.0 released -- need to bump stuff

  #791 opened 8 months ago by zerothi
  1

• eigenvalues from hamiltonian in presence of magnetic field

  #782 opened 9 months ago by masume70
  2

• #496 seems broken on 3.12

  #800 opened 9 months ago by zerothi
  3

• Allow `State.degenerate_decouple`

  #802 opened 9 months ago by zerothi
  0

• Transport routines within the kubo approach

  #766 opened 9 months ago by apezol
  16

• Docs formatting issue: Missing argument for `\mathbf`

  #798 opened 9 months ago by tfrederiksen
  2

• Custom colormaps for 3D plots

  #785 opened 10 months ago by saru1799
  3

• Change neighborfinder returns to a tuple of indices and supercell indices

  #744 opened 10 months ago by zerothi
  21

• Listify breaks documentation

  #783 opened 10 months ago by pfebrer
  8

• Writing Hamiltonian with sisl from Wannier

  #760 opened 10 months ago by monx-ne
  3

• Merging Atom/Orbital etc.

  #775 opened 10 months ago by zerothi
  1

• Disentangle overlap matrix and *other matrices*

  #770 opened 10 months ago by zerothi
  0

• `translate2uc` should use boundary conditions (?)

  #764 opened 10 months ago by pfebrer
  7

• Streamlining spin/index arguments on `read_grid` methods

  #756 opened a year ago by zerothi
  0

• Ufuncs could support external classes

  #747 opened a year ago by pfebrer
  4

• Dispatch methods does not work

  #721 opened a year ago by zerothi
  0

• `Geometry ` coordinates as f-contiguous array

  #748 opened a year ago by tfrederiksen
  4

• Sisl files not available in readthedocs documentation

  #745 opened a year ago by pfebrer
  18

• Math in sisl documentation

  #731 opened a year ago by zerothi
  5

• use tocartesian

  #741 opened a year ago by masume70
  11

• how can i use param_circle for graphene

  #740 opened a year ago by masume70
  4

• sisl.nodes warnings in tests

  #712 opened a year ago by zerothi
  1

• Change CLI to click

  #735 opened a year ago by zerothi
  1

• Usability suggestions -- Atom, bilayer

  #713 opened a year ago by zerothi
  15

• Documentation of SileBinder methods

  #728 opened a year ago by tfrederiksen
  2

• Reading wannier Hamiltonian with out '_centres.xyz' present

  #716 opened a year ago by nils-wittemeier
  6

• Rename `stdoutSileVASP` to `outcarSileVASP`

  #719 opened a year ago by tfrederiksen
  4