MANIFEST.in
setup.py
toexe.py
phaseshifts/LICENSE.txt
phaseshifts/README.rst
phaseshifts/TODO.rst
phaseshifts/__init__.py
phaseshifts/atorb.py
phaseshifts/conphas.py
phaseshifts/elements.py
phaseshifts/leed.py
phaseshifts/main.pyw
phaseshifts/model.py
phaseshifts/phsh.py
phaseshifts.egg-info/PKG-INFO
phaseshifts.egg-info/SOURCES.txt
phaseshifts.egg-info/dependency_links.txt
phaseshifts.egg-info/requires.txt
phaseshifts.egg-info/top_level.txt
phaseshifts/contrib/__init__.py
phaseshifts/contrib/xmlrpc_urllib2_transport.py
phaseshifts/cython/Cython-Build.py
phaseshifts/cython/atorb.pyx
phaseshifts/cython/conphas.pyx
phaseshifts/cython/dependancies.py
phaseshifts/cython/elements.pyx
phaseshifts/cython/leed.pyx
phaseshifts/cython/libphsh.dll
phaseshifts/cython/model.pyx
phaseshifts/cython/phsh.cpp
phaseshifts/cython/phsh.pyx
phaseshifts/doc/LICENSE.rst
phaseshifts/doc/Makefile
phaseshifts/doc/acknowledgements.rst
phaseshifts/doc/apigen.py
phaseshifts/doc/authors.rst
phaseshifts/doc/conf.py
phaseshifts/doc/contact.rst
phaseshifts/doc/docscrape.py
phaseshifts/doc/docscrape_sphinx.py
phaseshifts/doc/index.rst
phaseshifts/doc/input_files.rst.todo
phaseshifts/doc/installing_phaseshifts.rst
phaseshifts/doc/introduction.rst
phaseshifts/doc/make.bat
phaseshifts/doc/modules.rst
phaseshifts/doc/phaseshifts_0.1.2-dev.pdf
phaseshifts/doc/phaseshifts_0.1.4-dev.pdf
phaseshifts/doc/phshift2007.rst
phaseshifts/doc/scripts.rst
phaseshifts/doc/_build/doctrees/LICENSE.doctree
phaseshifts/doc/_build/doctrees/acknowledgements.doctree
phaseshifts/doc/_build/doctrees/authors.doctree
phaseshifts/doc/_build/doctrees/contact.doctree
phaseshifts/doc/_build/doctrees/environment.pickle
phaseshifts/doc/_build/doctrees/index.doctree
phaseshifts/doc/_build/doctrees/installing_phaseshifts.doctree
phaseshifts/doc/_build/doctrees/introduction.doctree
phaseshifts/doc/_build/doctrees/modules.doctree
phaseshifts/doc/_build/doctrees/phshift2007.doctree
phaseshifts/doc/_build/doctrees/scripts.doctree
phaseshifts/doc/_build/html/.buildinfo
phaseshifts/doc/_build/html/LICENSE.html
phaseshifts/doc/_build/html/acknowledgements.html
phaseshifts/doc/_build/html/authors.html
phaseshifts/doc/_build/html/contact.html
phaseshifts/doc/_build/html/genindex.html
phaseshifts/doc/_build/html/index.html
phaseshifts/doc/_build/html/installing_phaseshifts.html
phaseshifts/doc/_build/html/introduction.html
phaseshifts/doc/_build/html/modules.html
phaseshifts/doc/_build/html/np-modindex.html
phaseshifts/doc/_build/html/objects.inv
phaseshifts/doc/_build/html/phshift2007.html
phaseshifts/doc/_build/html/py-modindex.html
phaseshifts/doc/_build/html/scripts.html
phaseshifts/doc/_build/html/search.html
phaseshifts/doc/_build/html/searchindex.js
phaseshifts/doc/_build/html/_images/math/123671da64545ff8a70c16ce1525e5999117b810.png
phaseshifts/doc/_build/html/_images/math/24ee404cc46ed3219fa4bf402b8580ef245f86df.png
phaseshifts/doc/_build/html/_images/math/261188de3c68478fc25fb52ef4067b2a1c8ae931.png
phaseshifts/doc/_build/html/_images/math/2611b9515ac58ccc6ffb6710fa9162266f243703.png
phaseshifts/doc/_build/html/_images/math/368c4205b47678fbe30db2bfe6cfb6b5ee57ded9.png
phaseshifts/doc/_build/html/_images/math/38f8d909301838c9544278b4508a029daf2af2ef.png
phaseshifts/doc/_build/html/_images/math/397fa715a450a39336bf1a4ef36fb77edeef7ccb.png
phaseshifts/doc/_build/html/_images/math/3ead47fb9fb4a4c273feee398f72ff2a09702b84.png
phaseshifts/doc/_build/html/_images/math/3ecdec76a05c53bc36608d9e5c90249ef842f28d.png
phaseshifts/doc/_build/html/_images/math/49f8f1227fea201261b302b58f9714b42a632a42.png
phaseshifts/doc/_build/html/_images/math/4bd707bab53bdf75321b4a5e45c579e63d8ab119.png
phaseshifts/doc/_build/html/_images/math/55aca4c049f38048b0c057b23f7b6d2a0e7c06b8.png
phaseshifts/doc/_build/html/_images/math/6870ed50ce0241b91f794d90c4412c9422a55062.png
phaseshifts/doc/_build/html/_images/math/6b1991b04c8e37a25bf9e8fc056dd48eef3473f7.png
phaseshifts/doc/_build/html/_images/math/71863f7f96e75cf4162f74fb7c7e1868f9a56279.png
phaseshifts/doc/_build/html/_images/math/75c941f1a5765ca9c02a21aa7ba59d4af6263a90.png
phaseshifts/doc/_build/html/_images/math/923653422ecfd7150b85c38c716a268196597b27.png
phaseshifts/doc/_build/html/_images/math/93c2a6eedd4cc124e0081b54025281702c6993a3.png
phaseshifts/doc/_build/html/_images/math/a1e8fc27e62475d72c3c1657e1154951d76e8c89.png
phaseshifts/doc/_build/html/_images/math/a98580b750f7fecdce785177d82207145e20ad52.png
phaseshifts/doc/_build/html/_images/math/b59ef4497ab92e9929dca3b1baf50282c00064c7.png
phaseshifts/doc/_build/html/_images/math/cf5ba1f7c354ec2509d67e874e313a8bfae0abc1.png
phaseshifts/doc/_build/html/_images/math/d91786e2aca474e37ca3b7a5d3110882f50409e5.png
phaseshifts/doc/_build/html/_images/math/e1f9f76614f0d59ed80a3029d23108df15e2d772.png
phaseshifts/doc/_build/html/_images/math/e616f04bfcd2030c0281e94578bea0683743e165.png
phaseshifts/doc/_build/html/_images/math/f221bcb748dc80b9432938fd65d58edcf5164260.png
phaseshifts/doc/_build/html/_images/math/f3d1431ad346632b25a0e7b3f12ebe19723b3960.png
phaseshifts/doc/_build/html/_images/math/fc97ef67268cd4e91bacdf12b8901d7036c9a056.png
phaseshifts/doc/_build/html/_images/math/ffe9961299dea47ab7833c9886e55753b3d6480b.png
phaseshifts/doc/_build/html/_modules/index.html
phaseshifts/doc/_build/html/_modules/phaseshifts/atorb.html
phaseshifts/doc/_build/html/_modules/phaseshifts/conphas.html
phaseshifts/doc/_build/html/_modules/phaseshifts/leed.html
phaseshifts/doc/_build/html/_modules/phaseshifts/model.html
phaseshifts/doc/_build/html/_sources/LICENSE.txt
phaseshifts/doc/_build/html/_sources/acknowledgements.txt
phaseshifts/doc/_build/html/_sources/authors.txt
phaseshifts/doc/_build/html/_sources/contact.txt
phaseshifts/doc/_build/html/_sources/index.txt
phaseshifts/doc/_build/html/_sources/installing_phaseshifts.txt
phaseshifts/doc/_build/html/_sources/introduction.txt
phaseshifts/doc/_build/html/_sources/modules.txt
phaseshifts/doc/_build/html/_sources/phshift2007.txt
phaseshifts/doc/_build/html/_sources/scripts.txt
phaseshifts/doc/_build/html/_static/ajax-loader.gif
phaseshifts/doc/_build/html/_static/basic.css
phaseshifts/doc/_build/html/_static/comment-bright.png
phaseshifts/doc/_build/html/_static/comment-close.png
phaseshifts/doc/_build/html/_static/comment.png
phaseshifts/doc/_build/html/_static/contents.png
phaseshifts/doc/_build/html/_static/default.css
phaseshifts/doc/_build/html/_static/doctools.js
phaseshifts/doc/_build/html/_static/down-pressed.png
phaseshifts/doc/_build/html/_static/down.png
phaseshifts/doc/_build/html/_static/file.png
phaseshifts/doc/_build/html/_static/jquery.js
phaseshifts/doc/_build/html/_static/minus.png
phaseshifts/doc/_build/html/_static/navigation.png
phaseshifts/doc/_build/html/_static/plus.png
phaseshifts/doc/_build/html/_static/pygments.css
phaseshifts/doc/_build/html/_static/searchtools.js
phaseshifts/doc/_build/html/_static/sidebar.js
phaseshifts/doc/_build/html/_static/sphinxdoc.css
phaseshifts/doc/_build/html/_static/underscore.js
phaseshifts/doc/_build/html/_static/up-pressed.png
phaseshifts/doc/_build/html/_static/up.png
phaseshifts/doc/_build/html/_static/websupport.js
phaseshifts/doc/_build/latex/Makefile
phaseshifts/doc/_build/latex/fncychap.sty
phaseshifts/doc/_build/latex/phaseshifts.aux
phaseshifts/doc/_build/latex/phaseshifts.idx
phaseshifts/doc/_build/latex/phaseshifts.ilg
phaseshifts/doc/_build/latex/phaseshifts.ind
phaseshifts/doc/_build/latex/phaseshifts.log
phaseshifts/doc/_build/latex/phaseshifts.out
phaseshifts/doc/_build/latex/phaseshifts.pdf
phaseshifts/doc/_build/latex/phaseshifts.synctex.gz
phaseshifts/doc/_build/latex/phaseshifts.tex
phaseshifts/doc/_build/latex/phaseshifts.toc
phaseshifts/doc/_build/latex/phaseshifts0.1.4-dev.aux
phaseshifts/doc/_build/latex/phaseshifts0.1.4-dev.idx
phaseshifts/doc/_build/latex/phaseshifts0.1.4-dev.ilg
phaseshifts/doc/_build/latex/phaseshifts0.1.4-dev.ind
phaseshifts/doc/_build/latex/phaseshifts0.1.4-dev.log
phaseshifts/doc/_build/latex/phaseshifts0.1.4-dev.out
phaseshifts/doc/_build/latex/phaseshifts0.1.4-dev.synctex.gz
phaseshifts/doc/_build/latex/phaseshifts0.1.4-dev.tex
phaseshifts/doc/_build/latex/phaseshifts0.1.4-dev.toc
phaseshifts/doc/_build/latex/python.ist
phaseshifts/doc/_build/latex/sphinx.sty
phaseshifts/doc/_build/latex/sphinxhowto.cls
phaseshifts/doc/_build/latex/sphinxmanual.cls
phaseshifts/doc/_build/latex/tabulary.sty
phaseshifts/examples/input_files/at_Au.i
phaseshifts/examples/input_files/at_C.i
phaseshifts/examples/input_files/at_Cl.i
phaseshifts/examples/input_files/at_H.i
phaseshifts/examples/input_files/at_I.i
phaseshifts/examples/input_files/at_Ni.i
phaseshifts/examples/input_files/at_O.i
phaseshifts/examples/input_files/at_O_2.i
phaseshifts/examples/input_files/at_Re.i
phaseshifts/examples/input_files/at_Rh.i
phaseshifts/examples/input_files/at_W.i
phaseshifts/examples/input_files/atomic._Au_2x2_Cl.i
phaseshifts/examples/input_files/atomic.i
phaseshifts/examples/input_files/atomic_Au_bulk.i
phaseshifts/examples/input_files/atomic_Au_r3xr3_Cl.i
phaseshifts/examples/input_files/atomic_Au_r3xr3_I.i
phaseshifts/examples/input_files/atomic_C2Rh.i
phaseshifts/examples/input_files/atomic_C6Ni6.i
phaseshifts/examples/input_files/atomic_CONi.i
phaseshifts/examples/input_files/atomic_Ni.i
phaseshifts/examples/input_files/atomic_Ni1x7.i
phaseshifts/examples/input_files/atomic_Ni_1x7_on_w.i
phaseshifts/examples/input_files/atomic_Re.i
phaseshifts/examples/input_files/atomic_Rh.i
phaseshifts/examples/input_files/atomic_W.i
phaseshifts/examples/input_files/atomic_pseudoNi.i
phaseshifts/examples/input_files/atorb.txt
phaseshifts/examples/input_files/atorb_Au.txt
phaseshifts/examples/input_files/atorb_C.txt
phaseshifts/examples/input_files/atorb_Cl.txt
phaseshifts/examples/input_files/atorb_H.txt
phaseshifts/examples/input_files/atorb_I.txt
phaseshifts/examples/input_files/atorb_Ni.txt
phaseshifts/examples/input_files/atorb_O.txt
phaseshifts/examples/input_files/atorb_Re.txt
phaseshifts/examples/input_files/atorb_Rh.txt
phaseshifts/examples/input_files/atorb_W.txt
phaseshifts/examples/input_files/cluster.i
phaseshifts/examples/input_files/clusterAu111_Cl.i
phaseshifts/examples/input_files/cluster_Au.i
phaseshifts/examples/input_files/cluster_Au_1.8.i
phaseshifts/examples/input_files/cluster_Au_2.0.i
phaseshifts/examples/input_files/cluster_Au_2.2.i
phaseshifts/examples/input_files/cluster_Au_2.4.i
phaseshifts/examples/input_files/cluster_Au_r3xr3_Cl_1.8.i
phaseshifts/examples/input_files/cluster_Au_r3xr3_Cl_2.0.i
phaseshifts/examples/input_files/cluster_Au_r3xr3_Cl_2.2.i
phaseshifts/examples/input_files/cluster_Au_r3xr3_Cl_2.4.i
phaseshifts/examples/input_files/cluster_Au_r3xr3_I_2.0.i
phaseshifts/examples/input_files/cluster_Au_slab.i
phaseshifts/examples/input_files/cluster_C2Rh.i
phaseshifts/examples/input_files/cluster_C6Ni6.i
phaseshifts/examples/input_files/cluster_CONi_.i
phaseshifts/examples/input_files/cluster_Cl_Au2x2.i
phaseshifts/examples/input_files/cluster_Cl_Rh.i
phaseshifts/examples/input_files/cluster_Ni.i
phaseshifts/examples/input_files/cluster_Ni_1x7_on_W.i
phaseshifts/examples/input_files/cluster_Re.i
phaseshifts/examples/input_files/cluster_Re_bulk.i
phaseshifts/examples/input_files/cluster_Re_slab.i
phaseshifts/examples/input_files/cluster_Rh.i
phaseshifts/examples/input_files/cluster_W.i
phaseshifts/examples/input_files/cluster_W_slab.i
phaseshifts/examples/input_files/cluster_pseudoNi.i
phaseshifts/gui/AtorbConfigWidget.ui
phaseshifts/gui/ElementProperties.ui
phaseshifts/gui/ImportDialog.py
phaseshifts/gui/ImportDialog.ui
phaseshifts/gui/MainWindow.py
phaseshifts/gui/MainWindow.ui
phaseshifts/gui/ModelBuilder.ui
phaseshifts/gui/PeriodicTable.py
phaseshifts/gui/PeriodicTable.ui
phaseshifts/gui/SettingsDialog.py
phaseshifts/gui/SettingsDialog.ui
phaseshifts/gui/UpdateDialog.py
phaseshifts/gui/UpdateDialog.ui
phaseshifts/gui/__init__.py
phaseshifts/gui/elements_gui.py
phaseshifts/gui/res.bat
phaseshifts/gui/res_rc.py
phaseshifts/gui/settings.py
phaseshifts/gui/res/Qt_32x32.png
phaseshifts/gui/res/a1.svg
phaseshifts/gui/res/a2.svg
phaseshifts/gui/res/a3.svg
phaseshifts/gui/res/arrow_down_32x32.png
phaseshifts/gui/res/arrow_left_32x32.png
phaseshifts/gui/res/arrow_right_32x32.png
phaseshifts/gui/res/arrow_up_32x32.png
phaseshifts/gui/res/article_32x32.png
phaseshifts/gui/res/at_32x32.png
phaseshifts/gui/res/atoms.svg
phaseshifts/gui/res/blocks.png
phaseshifts/gui/res/book_32x32.png
phaseshifts/gui/res/cd_32x32.png
phaseshifts/gui/res/check_32x26.png
phaseshifts/gui/res/clock.svg
phaseshifts/gui/res/cog_32x32.png
phaseshifts/gui/res/comment_alt2_stroke_28x32.png
phaseshifts/gui/res/convert_32x24.png
phaseshifts/gui/res/cursor_32x32.png
phaseshifts/gui/res/document_alt_stroke_24x32.png
phaseshifts/gui/res/document_edit_24x32.png
phaseshifts/gui/res/document_stroke_32x32.png
phaseshifts/gui/res/document_text_24x32.png
phaseshifts/gui/res/download_24x32.png
phaseshifts/gui/res/eject_32x32.png
phaseshifts/gui/res/equalizer_32x32.png
phaseshifts/gui/res/exit_32x32.png
phaseshifts/gui/res/export.svg
phaseshifts/gui/res/export_32x32.png
phaseshifts/gui/res/folder_fill_32x32.png
phaseshifts/gui/res/folder_stroke_32x32.png
phaseshifts/gui/res/font_32x32.png
phaseshifts/gui/res/hash_28x32.png
phaseshifts/gui/res/import.svg
phaseshifts/gui/res/layers_32x28.png
phaseshifts/gui/res/link_32x32.png
phaseshifts/gui/res/list_nested_32x28.png
phaseshifts/gui/res/loop_32x32.png
phaseshifts/gui/res/loop_alt2_32x28.png
phaseshifts/gui/res/mail_32x32.png
phaseshifts/gui/res/minus_32x8.png
phaseshifts/gui/res/pause_32x32.png
phaseshifts/gui/res/pencil_32x32.png
phaseshifts/gui/res/periodictable_32x32.png
phaseshifts/gui/res/play_24x32.png
phaseshifts/gui/res/plus_32x32.png
phaseshifts/gui/res/question_32x32.png
phaseshifts/gui/res/redo2_32x32.png
phaseshifts/gui/res/redo_32x32.png
phaseshifts/gui/res/reload_alt_24x28.png
phaseshifts/gui/res/res.qrc
phaseshifts/gui/res/rss_alt_32x32.png
phaseshifts/gui/res/save_32x32.png
phaseshifts/gui/res/spin_28x32.png
phaseshifts/gui/res/square_32x32.png
phaseshifts/gui/res/target_32x32.png
phaseshifts/gui/res/tri-down_32x32.png
phaseshifts/gui/res/tri-left_32x32.png
phaseshifts/gui/res/tri-up_32x32.png
phaseshifts/gui/res/unitcell.svg
phaseshifts/gui/res/wand_32x32.png
phaseshifts/gui/res/wrench_32x32.png
phaseshifts/gui/res/x_28x28.png
phaseshifts/lib/__init__.c
phaseshifts/lib/__init__.py
phaseshifts/lib/hartfock.py
phaseshifts/lib/libphsh-f2pywrappers.f
phaseshifts/lib/libphsh.f
phaseshifts/lib/libphshmodule.c
phaseshifts/lib/phsh.py
phaseshifts/plugins/__init__.py
phaseshifts/res/windows/phaseshifts.ico
phaseshifts/res/windows/phaseshifts.rc
phaseshifts/res/windows/phaseshifts.rc.in
phaseshifts/res/windows/phaseshifts.res
phaseshifts/res/windows/update.bat
phaseshifts/test/__init__.py
phaseshifts/test/atorb_C.txt
phaseshifts/test/testatorb.py
phaseshifts/test/testimports.py
phaseshifts/tools/__init__.py
phaseshifts/tools/debye.py