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Sisl visualization module and graphical interface #221
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cf7e9c0
GUI fresh start after 270 commits to allow rebasing
pfebrer f8d69f9
enh: 2d geometry plot now also allows bond colors
pfebrer 3d0762b
enh: registered some more handy plotables
pfebrer a3c589c
maint: more robust handling of the orbitals queries
pfebrer d822e8e
bug: energy points in PDOS was hardcoded
pfebrer 63f3f2c
bug: socket connections were not set up properly
pfebrer d53dde3
before autodoc
pfebrer c82c58a
before autodoc
pfebrer b853429
before autodoc
pfebrer 480418a
maint: All plots documented
pfebrer fa1c433
maint: added auto documentation script to package
pfebrer 672b372
maint: added tests for geometry and bondlength
pfebrer 40a5320
maint: removed some leftover prints in GridPlot
pfebrer 6f4f401
maint: wavefunctions have their own plot now
pfebrer cedad64
enh: animations available for plotables through the animate keyword
pfebrer 477b8a0
enh: much easier to build subplots, animations or multiple plots from…
pfebrer ca5b0d0
maint: added editable and drawable flags to splot
pfebrer e6f0854
bug: WavefunctionPlot didn't allow k other than gamma
pfebrer d5b7bbb
bug: forgot to add some gui requirements to setup.py
pfebrer 5df335b
maint: more manageable fatbands with a build_groups method
pfebrer 23e264f
enh: incorporated sisl express waiting for df implementations
pfebrer a6d0e72
enh: fatbands plot now also from *.bands and *.wfsx files
pfebrer 7bdd3d4
enh: splot searches current dir if only plot type is specified
pfebrer 897a87f
bug: fixed some bugs in splot
pfebrer e61ed7b
bug: fatbands use the hamiltonian now to read from WFSX
pfebrer 436c246
maint: not reading directly from HSX anymore
pfebrer f915254
maint: applied some feedback and avoided deprecation warnings
pfebrer 1a4c842
maint: removed two useless files
pfebrer 5bc47d3
maint: moved everything to a plotly folder
pfebrer f393718
maint: using environment variables
pfebrer ecfea5b
maint: incorporated all feedback except plotables
pfebrer 311e219
enh: first implementation of the PlotHandler
pfebrer a010be6
enh: first implementation of entry points for more flexibility in the…
pfebrer 53e721d
bug: fixed bug in BandsPlot
pfebrer 99de421
bug: forgot to import reduce in setup.py
pfebrer 6466726
maint: almost there with sisl.viz documentation
pfebrer 93e1d99
bug: fixed bug in GeometryPlot
pfebrer 2662361
maint: cleaned plotutils file
pfebrer f3bffff
maint: using only pathlib in viz module (not os.path)
pfebrer aaf3ebb
maint: ran pep8.sh in viz module
pfebrer e6ce1c8
maint: added __all__ to viz modules
pfebrer 5794000
enh: bands and fatbands from H support spin now
pfebrer f64193b
bug: Animation was not setting frame names properly
pfebrer 02b7d78
bug: no need to parse frame names in animated
pfebrer eea0f9f
bug: fixed some bugs in spin polarized fatbands
pfebrer a1539ec
enh: first sketch of spin textured bands support to choose spin
pfebrer 426471d
enh: accepting also nc and soc hamiltonians in fatbands
pfebrer 752ffcc
bug: fixed some bugs in the gui
pfebrer 94b32d6
maint: removed padding and allowed for choosing colorscale in spin te…
pfebrer 10ff682
enh: allow for arbitrary transforms in GridPlot
pfebrer ad175af
bug: file_storage_dir was not a path input
pfebrer bd8254a
maint: header of splot was mistaken
pfebrer 1f05584
maint: fixed docs in _doc_updater
pfebrer 9e09ea7
enh: much better handling of files considering a root fdf
pfebrer 8613410
maint: updated docs in the viz/plotly module
pfebrer 8fa550c
maint: added tests for NC (fat)bands and grid transforms
pfebrer 5f9baeb
enh: (GUI) flexibility in choosing plot type from plotables
pfebrer cbc31b9
bug: GridPlot was cutting vacuum before applying the ranges
pfebrer 2c68aec
maint: set default cut_vacuum to False (GridPlot)
pfebrer fb8bcf1
bug: OrbitalQueries didn't accept numpy arrays
pfebrer 0e8f8b7
maint: sanitizing atoms in OrbitalsQuery
pfebrer deb4957
maint: easy way to change child plots settings in multiple plots
pfebrer a6a3bc7
maint: just changed a comment near MultiplePlot
pfebrer 00f4fdb
maint: GUI build now on github
pfebrer 0e632e3
maint: flask apps not created on import, only when needed
pfebrer d7d16e8
maint: GUI build directory gets installed now
pfebrer d544c55
maint: using new environment setup in sisl.viz
pfebrer 6e21594
maint: not swallowing import error on sisl.viz load
pfebrer 716ba84
maint: removed old way of handling env vars
pfebrer 7934849
maint: removed faulty symbolic link
pfebrer 6d8e023
enh: support for custom gaps in BandsPlot
pfebrer e90912b
maint: build dir was sneaking in
pfebrer e0d3c89
bug: now saved plots/sessions can be shared across all supported pyth…
pfebrer e3df56f
maint: starting to use fixtures to test plot subclasses
pfebrer 52586a3
maint: refactoring of tests to make them more scalable
pfebrer 6e309a8
maint: removed empty lines after all docstrings in the viz module
pfebrer a5a5ae9
maint: public method to easily draw a gap in BandsPlot
pfebrer 69663e9
enh: PDOS requests can be splitted in-place (easier for the GUI)
pfebrer 931735b
enh: composite splitting of orbitals made easy (very nice for PDOS an…
pfebrer 80b4166
bug: was not considering constrains when splitting requests
pfebrer aceb6f6
bug: fixed bug in PDOSPlot
pfebrer c0e0121
maint: geometry plot showing atoms 0-indexed for consistency
pfebrer 798f8a4
maint: Using the new AtomGhost in GeometryPlot
pfebrer 994fe8a
enh: created entry point for aiida's BandsData in BandsPlot
pfebrer 1fe773a
enh: user can now easily set the colors and sizes of atoms as they wi…
pfebrer 0cea20f
maint: added some tests for atom size and atom color in GeometryPlot
pfebrer afd8920
maint: cleaned up a bit using PlotMeta instead of Plot.__new__
pfebrer 0834ee5
doc: added docs to GeometryPlot.find_all_bonds
pfebrer f406c81
maint: registered all plots to fdfSile
pfebrer 74e0edd
enh: support spin in WavefunctionPlot and hamiltonian calculated Pdos…
pfebrer b35f2bf
docs: first sketch of visualization notebooks in sisl docs
pfebrer 6bc2a38
docs: finished GeometryPlot showcase notebook
pfebrer 7d8b680
docs: GridPlot and PdosPlot showcase notebooks finished
pfebrer 628d938
maint: it wasn't necessary to use a flask app to display the GUI in t…
pfebrer 5503c84
maint: making sure that the python with GUI notebook works
pfebrer 6046c88
bug: left a print statement in socketio emiter
pfebrer 797bd23
maint: deleted ipynb-checkpoints
pfebrer 01d284a
maint: added Nick suggestions to the viz module
pfebrer 8e3ed9d
enh: Changed radically the way settings are retreived and updates are…
pfebrer db1c1c2
bug: pdosSile.plot() returned GeometryPlot with new addition of pdosS…
pfebrer adaa23f
enh: 3D gridplot now supports plotting non-orthogonal grids.
pfebrer f1846d8
enh: same setting that draws isosurfaces draws contours in 2d GridPlot
pfebrer 2f39b0d
docs: included isosurfaces/contours in GridPlot notebook
pfebrer dca68bb
bug: bug in skimage package name
pfebrer a73237a
docs: added the BandsPlot showcase notebook
pfebrer c1a442a
bug: fixed syntax bug in BandsPlot
pfebrer 6c2747e
doc: added intro to multiple plots notebook
pfebrer 8d90d5c
maint: automatic global axes titles in subplots when they are all the…
pfebrer 85cd240
bug:forgot to import defaultdict
pfebrer 5ed3dd4
maint: removed BaseGeometryPlot, now all in GeometryPlot
pfebrer 16bf22a
maint: entry points help and better handling of multiple plot init
pfebrer 5f56d9a
bug: fixed color bug in GeometryPlot
pfebrer a12c984
bug: atom labels and colors were not correct in 2D GeometryPlot subsets
pfebrer 2ee3322
enh: finally, there is full support for non-orthogonal grids in GridPlot
pfebrer 44266d6
bug: no atoms setting in 1D GeometryPlot
pfebrer 0a49201
docs: renewed the do it yourself section.
pfebrer a49e026
bug: atoms_color/size didn't work with sc in GeometryPlot
pfebrer 6ccbe79
bug: update information was not transmitted through plots
pfebrer 02cadd6
docs: added WavefunctionPlot showcase notebook
pfebrer 5ff49b2
docs: cleared output from WavefunctionPlot notebook
pfebrer e9d5692
bug: BondLengthMap did not accept sc
pfebrer 574b010
bug: FatbandsPlot didn't check if self.H existed
pfebrer 8e5af0a
maint: removed commented settings from BondLengthMap
pfebrer 6746c84
maint: substituted show_jupnb by ipython display
pfebrer 88a82b7
bug: ipyevents can be present in jupyter but not the kernel
pfebrer 5457551
maint: PlotHandler can use __getattr__ because autocompletion is achi…
pfebrer 3b84488
enh: the gui's build is no longer in sisl's repo
pfebrer 895291d
enh: allow lazy loading of the viz module
pfebrer 7f39b71
bug; small typo
pfebrer 5a83520
bug: aiida_bands was not working
pfebrer ea28432
maint: added an input for aiida nodes
pfebrer f9145a4
maint: colouring Au with gold in GeometryPlot
pfebrer 9011719
maint: removed Animation.zip_with
pfebrer fe955b5
enh: entry point for TBT.nc files in PdosPlot
pfebrer 273e97b
maint: removed the v_line method from Plot
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Original file line number | Diff line number | Diff line change |
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@@ -0,0 +1,13 @@ | ||
ASE | ||
--- | ||
|
||
A sisl `Geometry` object may easily be converted to ASE objects and thus directly | ||
plotted. | ||
|
||
import sisl | ||
import ase.visualize.view as view | ||
|
||
geom = sisl.geom.graphene() | ||
view(geom.toASE()) | ||
|
||
will open a new window showing the atoms. |
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