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TODO.rst

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Functionality

  • make and base.save_system(<seed_name>) TODO: make sure .reloading is more sugar-coated, e.g. check for correct size of file and document
  • make sure one can (re)start and stop viewer from ipython ('kmos run')
  • kmos.gui.Editor should be able to process project_tree passed in automatically (and save changes directly to it) [should be transparent to the user]
  • add a tags field to all entities: parameters, process, species, layer
  • change book-keeping/memory management from process based to site based (better storage for amorphous geometries)
  • add/fix undo function to process editor
  • improve layer editor: make handling better (removing/cancelling sites) and make better guess for z-position of site
  • improve speed by inlining function call in generated code [keep it optional in case inlining increases code base too much]
  • put XML/DTD handling into stdlib only tools (validation currenty not supported)
  • add convenience function to write time series
  • document running of simulations better

Project related

  • configure pip mechanism
  • build virtualenv test environment(s): 2.4-3.0
  • build deb package

Future/optional projects

  • do 3D version of process editor using ASE facilities first: basically rid gtkcanvas in favor or pygoocanvas and include atoms in background
  • check-out blender and maybe additional 3D programs for good gui design of placing sites or species in 3D space

Defered

  • build-up library of lattices which can be simply chosen from (making new lattice is very easy and fast)

Refactorization

  • remove output functionality