LICENSE.md
README.md
pyproject.toml
src/viperleed/__init__.py
src/viperleed/__main__.py
src/viperleed/calc.mplstyle
src/viperleed/cli.py
src/viperleed/cli_base.py
src/viperleed/gui.py
src/viperleed.egg-info/PKG-INFO
src/viperleed.egg-info/SOURCES.txt
src/viperleed.egg-info/dependency_links.txt
src/viperleed.egg-info/entry_points.txt
src/viperleed.egg-info/requires.txt
src/viperleed.egg-info/top_level.txt
src/viperleed/calc/__init__.py
src/viperleed/calc/__main__.py
src/viperleed/calc/bookkeeper.py
src/viperleed/calc/cli.py
src/viperleed/calc/from_ase.py
src/viperleed/calc/psgen.py
src/viperleed/calc/run.py
src/viperleed/calc/symmetry.py
src/viperleed/calc/classes/__init__.py
src/viperleed/calc/classes/atom.py
src/viperleed/calc/classes/atom_containers.py
src/viperleed/calc/classes/beam.py
src/viperleed/calc/classes/layer.py
src/viperleed/calc/classes/r_error.py
src/viperleed/calc/classes/searchpar.py
src/viperleed/calc/classes/sitetype.py
src/viperleed/calc/classes/sym_entity.py
src/viperleed/calc/classes/rparams/__init__.py
src/viperleed/calc/classes/rparams/defaults.py
src/viperleed/calc/classes/rparams/domain_params.py
src/viperleed/calc/classes/rparams/limits.py
src/viperleed/calc/classes/rparams/rparams.py
src/viperleed/calc/classes/rparams/special/__init__.py
src/viperleed/calc/classes/rparams/special/base.py
src/viperleed/calc/classes/rparams/special/energy_range.py
src/viperleed/calc/classes/rparams/special/l_max.py
src/viperleed/calc/classes/rparams/special/layer_cuts.py
src/viperleed/calc/classes/rparams/special/search_cull.py
src/viperleed/calc/classes/rparams/special/symmetry_eps.py
src/viperleed/calc/classes/slab/__init__.py
src/viperleed/calc/classes/slab/base_slab.py
src/viperleed/calc/classes/slab/bulk_slab.py
src/viperleed/calc/classes/slab/errors.py
src/viperleed/calc/classes/slab/surface_slab.py
src/viperleed/calc/classes/slab/utils.py
src/viperleed/calc/files/__init__.py
src/viperleed/calc/files/beamgen.py
src/viperleed/calc/files/beams.py
src/viperleed/calc/files/delta_intensities.py
src/viperleed/calc/files/displacements.py
src/viperleed/calc/files/iodeltas.py
src/viperleed/calc/files/ioerrorcalc.py
src/viperleed/calc/files/iofdopt.py
src/viperleed/calc/files/iorefcalc.py
src/viperleed/calc/files/iorfactor.py
src/viperleed/calc/files/iosearch.py
src/viperleed/calc/files/iosuperpos.py
src/viperleed/calc/files/iotensors.py
src/viperleed/calc/files/ivplot.py
src/viperleed/calc/files/new_search.py
src/viperleed/calc/files/patterninfo.py
src/viperleed/calc/files/phaseshifts.py
src/viperleed/calc/files/poscar.py
src/viperleed/calc/files/searchpdf.py
src/viperleed/calc/files/tenserleed.py
src/viperleed/calc/files/vibrocc.py
src/viperleed/calc/files/parameters/__init__.py
src/viperleed/calc/files/parameters/checker.py
src/viperleed/calc/files/parameters/errors.py
src/viperleed/calc/files/parameters/interpret.py
src/viperleed/calc/files/parameters/known_parameters.py
src/viperleed/calc/files/parameters/read.py
src/viperleed/calc/files/parameters/reader.py
src/viperleed/calc/files/parameters/utils.py
src/viperleed/calc/files/parameters/write.py
src/viperleed/calc/lib/__init__.py
src/viperleed/calc/lib/_checksums.dat
src/viperleed/calc/lib/base.py
src/viperleed/calc/lib/checksums.py
src/viperleed/calc/lib/leedbase.py
src/viperleed/calc/lib/parallelization.py
src/viperleed/calc/lib/periodic_table.py
src/viperleed/calc/lib/version.py
src/viperleed/calc/lib/woods_notation.py
src/viperleed/calc/sections/__init__.py
src/viperleed/calc/sections/calc_section.py
src/viperleed/calc/sections/cleanup.py
src/viperleed/calc/sections/deltas.py
src/viperleed/calc/sections/errorcalc.py
src/viperleed/calc/sections/fd_optimization.py
src/viperleed/calc/sections/initialization.py
src/viperleed/calc/sections/refcalc.py
src/viperleed/calc/sections/rfactor.py
src/viperleed/calc/sections/run_sections.py
src/viperleed/calc/sections/search.py
src/viperleed/calc/sections/superpos.py
src/viperleed/extensions/Makefile
src/viperleed/extensions/__init__.py
src/viperleed/extensions/error_codes.py
src/viperleed/extensions/interpolation/TensErLEED_intpol.f90
src/viperleed/extensions/interpolation/interpolation.f90
src/viperleed/extensions/interpolation/intpol_test.f90
src/viperleed/extensions/rfactor/rfactor.f90
src/viperleed/extensions/rfactor/rfactor_example.py
src/viperleed/extensions/smoothing/MS_smoothing.f90
src/viperleed/extensions/smoothing/smoothing_example.py
src/viperleed/guilib/__init__.py
src/viperleed/guilib/base.py
src/viperleed/guilib/basewidgets.py
src/viperleed/guilib/decorators.py
src/viperleed/guilib/helpers.py
src/viperleed/guilib/widgetdecorators.py
src/viperleed/guilib/widgetslib.py
src/viperleed/guilib/fonts/DejaVuSans.ttf
src/viperleed/guilib/fonts/FontLog - CMU.txt
src/viperleed/guilib/fonts/LICENSE_CMU
src/viperleed/guilib/fonts/LICENSE_DEJAVU
src/viperleed/guilib/fonts/cmunrm.otf
src/viperleed/guilib/icons/measure.png
src/viperleed/guilib/icons/measure.svg
src/viperleed/guilib/icons/pattern_simulator.png
src/viperleed/guilib/icons/pattern_simulator.svg
src/viperleed/guilib/icons/viperleed_logo_circled.svg
src/viperleed/guilib/icons/viperleed_logo_circled_48x48.png
src/viperleed/guilib/icons/viperleed_logo_oneline.svg
src/viperleed/guilib/icons/viperleed_logo_oneline_200x38.png
src/viperleed/guilib/leedsim/__init__.py
src/viperleed/guilib/leedsim/dialogbulk3dsym.py
src/viperleed/guilib/leedsim/exportcsv.py
src/viperleed/guilib/leedsim/exportcsvdialog.py
src/viperleed/guilib/leedsim/leedparameters.py
src/viperleed/guilib/leedsim/mainwindow.py
src/viperleed/guilib/leedsim/newfiledialog.py
src/viperleed/guilib/leedsim/widgets.py
src/viperleed/guilib/leedsim/classes/__init__.py
src/viperleed/guilib/leedsim/classes/beams.py
src/viperleed/guilib/leedsim/classes/leedpattern.py
src/viperleed/guilib/leedsim/classes/oldleedpatterns.py
src/viperleed/guilib/leedsim/classes/realspace.py
src/viperleed/guilib/leedsim/classes/symdomains.py
src/viperleed/guilib/leedsim/classes/woods.py
src/viperleed/utilities/__init__.py
src/viperleed/utilities/__main__.py
src/viperleed/utilities/cli.py
src/viperleed/utilities/rearrange_phaseshifts.py
src/viperleed/utilities/beams/__init__.py
src/viperleed/utilities/beams/__main__.py
src/viperleed/utilities/beams/cli.py
src/viperleed/utilities/beams/from_satleed.py
src/viperleed/utilities/beams/from_tenserleed.py
src/viperleed/utilities/poscar/__init__.py
src/viperleed/utilities/poscar/__main__.py
src/viperleed/utilities/poscar/attach_bulk.py
src/viperleed/utilities/poscar/base.py
src/viperleed/utilities/poscar/cli.py
src/viperleed/utilities/poscar/delete_above.py
src/viperleed/utilities/poscar/delete_below.py
src/viperleed/utilities/poscar/delete_between.py
src/viperleed/utilities/poscar/enforce_symmetry.py
src/viperleed/utilities/poscar/find_symmetry.py
src/viperleed/utilities/poscar/get_bulk_repeat.py
src/viperleed/utilities/poscar/merge.py
src/viperleed/utilities/poscar/modify_vacuum.py
src/viperleed/utilities/poscar/project_c_to_z.py
src/viperleed/utilities/poscar/reorder_elements.py
src/viperleed/utilities/poscar/rescale_cell.py
src/viperleed/utilities/poscar/sort_by_z.py
src/viperleed/utilities/poscar/strip_comments.py
src/viperleed/utilities/poscar/vasp_relax.py