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        "author": "Paul Kienzle",
        "author_email": "pkienzle@gmail.com",
        "bugtrack_url": null,
        "classifiers": [
            "Development Status :: 4 - Beta",
            "Environment :: Console",
            "Intended Audience :: Science/Research",
            "License :: Public Domain",
            "Operating System :: OS Independent",
            "Programming Language :: Python",
            "Programming Language :: Python :: 3",
            "Topic :: Scientific/Engineering :: Chemistry",
            "Topic :: Scientific/Engineering :: Physics"
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        "description": "=========================================\nExtensible periodic table of the elements\n=========================================\n\nThis package provides a periodic table of the elements with\nsupport for mass, density and xray/neutron scattering information.\n\nMasses, densities and natural abundances come from the\nNIST Physics Laboratory, but do not represent a critical\nevaluation by NIST scientists.\n\nNeutron scattering calculations use values collected by the\nAtomic Institute of the Austrian Universities.  These values\ndo corresponding to those from other packages, though there\nare some differences depending to the tables used.  Bound\ncoherent neutron scattering for gold in particular is significantly\ndifferent from older value: 7.63(6) as measured in 1974\ncompared to 7.90(7) as measured in 1990.\n\nX-ray scattering calculations use a combination of empirical and\ntheoretical values from the LBL Center for X-ray Optics.  These\nvalues differ from those given in other sources such as the\nInternational Tables for Crystallography, Volume C, and so may\ngive different results from other packages.\n\nThere are several web interfaces to this package:\n\n* `NIST Center for Neutron Research (NCNR) <https://www.ncnr.nist.gov/resources/activation>`_\n* `Forschungs-Neutronenquelle Heinz Maier-Leibnitz (FRM II) <https://webapps.frm2.tum.de/intranet/activation/>`_\n* `SLD Calulator <https://sld-calculator.appspot.com/>`_\n\nSource links:\n\n* https://github.com/pkienzle/periodictable\n* https://github.com/scattering/activation\n\n|TravisStatus|_ |DOI|_\n\n.. |TravisStatus| image:: https://travis-ci.org/pkienzle/periodictable.svg?branch=master\n.. _TravisStatus: https://travis-ci.org/pkienzle/periodictable\n\n\n.. |DOI| image:: https://zenodo.org/badge/1146700.svg\n.. _DOI: https://zenodo.org/badge/latestdoi/1146700\n\n\nChange history\n==============\n\n1.5.1 2019-09-09\n----------------\n\nModified:\n\n* fasta uses natural abundance of H for biomolecule when computing the\n  D2O contrast match rather than the biomolecule with pure H[1].\n* remove half-life units from column header in activation table since\n  each row gives its own units.\n\n1.5.0 2017-05-11\n----------------\n\nNew:\n\n* mixture by mass and volume, e.g., 5 g NaCl // 50 mL H2O@1\n* multilayer materials, e.g., 5 um Si // 3 nm Cr // 8 nm Au\n* add support for bio molecules with labile hydrogens\n* update list of possible oxidation states to include rare states\n\nModified:\n\n* fixed computation of incoherent cross section so it is consistent with\n  coherent cross section and total cross section\n\n\n1.4.1 2014-02-04\n----------------\n\nModified:\n\n* default density is now the isotopic density rather than the natural density\n\n1.4.0 2013-12-20\n----------------\n\n* support python 3.3\n\n1.3.10 2013-10-25\n-----------------\n\nModified:\n\n* fix activation calculation to ignore fast neutrons in thermal environment\n* add emission spectra for remaining elements above neon\n\n1.3.9 2013-04-23\n----------------\n\nModified:\n\n* Update requirements to pyparsing<2.0.0 (we don't support python 3 yet)\n\n1.3.8 2013-04-08\n----------------\n\nNew:\n\n* formula parser supports density spec and mix by weight/mix by volume\n\nModified:\n\n* py2exe/py2app wrapping now includes missing activation.dat\n* skipping bad 1.3.7 build which didn't include all changes\n\n1.3.6 2013-03-05\n----------------\n\nNew:\n\n* add activation decay time to neutron activation calculator\n\nModified:\n\n* Change neutron scattering calculations for incoherent cross section\n  to be the linear combination of the incoherent cross sections of the\n  individual atoms rather than total cross section minus the coherent\n  cross section.  Penetration depth of the unscattered beam still uses\n  the total cross section plus the absorption cross section.\n\n1.3.5 2013-02-26\n----------------\n\nNew:\n\n* formulas now report charge and mass_fraction\n* formula parser accepts ions as Yy{#+} or Yy[#]{#+} for isotopes\n* support neutron activation calculations\n* support xray refraction index and mirror reflectivity\n\nModified:\n\n* update X-ray scattering tables for Zr\n* adjust ion mass for number of electrons\n* ions now display as Yy{#+} rather than Yy^{#+}\n* fix formula.natural_density\n* fix formula.hill so C,H come first\n* fix element.interatomic_distance\n* formula(value=...) -> formula(compound=...)\n\n1.3  2010-12-05\n---------------\n\nNew:\n\n* mix_by_weight and mix_by_volume formula constructors\n* use natural density to set density for isotope specific formulas\n* add neutron_scattering function which returns xs, sld and penetration depth\n\nModified:\n\n* need wavelength= or energy= for xray/neutron sld\n* improved docs and testing\n\n1.2  2010-04-28\n---------------\n\nNew:\n\n* support pickle: id(H) == id(loads(dumps(H)))\n* support ions, with magnetic form factors and x-ray f0 scattering factor\n* support py2exe wrappers\n* allow density to be calculated from structure (bcc, fcc, hcp, cubic, diamond)\n* estimate molecular volume\n* support private tables with some values replaced by application\n\nModified:\n\n* rename package periodictable\n* rename table to periodictable.elements\n* neutron sld returns real and imaginary coherent and incoherent\n  instead of coherent, absorption and incoherent\n* bug fix: sld for H[2] was wrong when queried before sld for H.\n* remove CrysFML ionic radius definitions\n\n1.1  2009-01-20\n---------------\n\nModified:\n\n* Restructure package, separating tests into different directory\n* When defining table extensions, you should now do::\n\n      from elements.core import periodic_table, Element, Isotope\n\n  rather than::\n\n      from elements import periodic_table\n      from elements.elements import Element, Isotope",
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