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ciaaw | ||
============== | ||
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.. image:: ../media/logo-ciaaw.png | ||
:width: 200 | ||
:align: center | ||
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.. include:: ../../../../README.rst | ||
:start-after: readme_inclusion_start | ||
:end-before: readme_inclusion_end | ||
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How to install | ||
^^^^^^^^^^^^^^^^^ | ||
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.. include:: ../../../../INSTALL.rst | ||
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Dependencies | ||
^^^^^^^^^^^^^^^^^ | ||
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.. literalinclude:: ../../../../REQUIREMENTS.txt | ||
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License | ||
^^^^^^^^^^^^^^^^^ | ||
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:download:`GNU General Public License v3 (GPLv3) <../../../../LICENSE.txt>` |
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******** | ||
Examples | ||
******** | ||
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Example in Fortran | ||
==================== | ||
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.. literalinclude:: ../../../../example/example_in_f.f90 | ||
:language: fortran | ||
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Example in C | ||
============= | ||
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.. literalinclude:: ../../../../example/example_in_c.c | ||
:language: C | ||
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Example in Python | ||
================== | ||
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.. literalinclude:: ../../../../example/example_in_py.py | ||
:language: python | ||
:lines: 4- |
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############### | ||
Getting Started | ||
############### | ||
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.. only:: html | ||
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PDF documentation: :download:`ciaaw <../../build/latex/ciaaw.pdf>`. | ||
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Sources: https://github.com/MilanSkocic/ciaaw | ||
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.. toctree:: | ||
:maxdepth: 1 | ||
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ciaaw.rst | ||
pyciaaw.rst | ||
examples.rst |
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******* | ||
pyciaaw | ||
******* | ||
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.. include:: ../../../../pywrapper/README.rst | ||
:start-after: readme_inclusion_start | ||
:end-before: readme_inclusion_end | ||
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How to install | ||
=============== | ||
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.. include:: ../../../../pywrapper/INSTALL.rst | ||
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Dependencies | ||
=============== | ||
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.. literalinclude:: ../../../../pywrapper/requirements.txt | ||
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License | ||
=============== | ||
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:download:`GNU General Public License v3 (GPLv3) <../../../../pywrapper/LICENSE.txt>` |
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*********************** | ||
Standard Atomic Weights | ||
*********************** | ||
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The standard atomic weights (or realtive atomic mass), :math:`A_r(E)`, | ||
are extracted from table 1 in :cite:t:`prohaska2022-0`. For the elements | ||
that feature an interval for the standard atomic weight, the mean value and the uncertainty are computed | ||
using formulas defined in :cite:t:`veen2021-0`: | ||
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.. math:: | ||
A_r(E) = \frac{a+b}{2} | ||
u(A_r(E)) = \frac{b-a}{2\sqrt{3}} | ||
The standard atomic weights are a dimensionless quantity and thus they need to be multiplied by | ||
the molar mass constant :math:`M_u=0.999 999 999 65 \pm 0.000 000 000 30 g.mol^{-1}` | ||
in order to get the value in :math:`g.mol^{-1}`. |
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########## | ||
User Guide | ||
########## | ||
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.. toctree:: | ||
:maxdepth: 1 | ||
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ciaaw_saw.rst |
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***** | ||
0.1.0 | ||
***** | ||
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Summary | ||
======= | ||
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* All elements from the periodic table added for the saw module. | ||
* They are implemented as parameter derived type. | ||
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Download | ||
======== | ||
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`ciaaw <https://github.com/MilanSkocic/ciaaw/releases>`_ | ||
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`pyciaaw <https://pypi.org/project/pyciaaw>`_ | ||
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Contributors | ||
============ | ||
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Milan Skocic | ||
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Commits | ||
======= | ||
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Full Changelog: https://github.com/MilanSkocic/ciaaw/compare/....0.1.0 |
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***** | ||
0.2.0 | ||
***** | ||
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Summary | ||
======= | ||
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* All elements from the periodic table added for the saw module. | ||
* They are implemented as parameter derived type. | ||
* Fix error in phosphorus name. | ||
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Download | ||
======== | ||
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`ciaaw <https://github.com/MilanSkocic/ciaaw/releases>`_ | ||
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`pyciaaw <https://pypi.org/project/pyciaaw>`_ | ||
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Contributors | ||
============ | ||
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Milan Skocic | ||
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Commits | ||
======= | ||
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Full Changelog: https://github.com/MilanSkocic/ciaaw/compare/0.1.0...0.2.0 |
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############# | ||
Release Notes | ||
############# | ||
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.. toctree:: | ||
:maxdepth: 1 | ||
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0.2.0.rst | ||
0.1.0.rst |
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***** | ||
ciaaw | ||
***** | ||
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.. only:: html | ||
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`Fortran and C API <../doxygen/index.html>`_ | ||
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PDF version: :download:`Fortran and C API <../../../doxygen/build/latex/refman.pdf>`. | ||
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.. only:: latex | ||
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`Fortran and C API <https://milanskocic.github.io/ciaaw/3-api/ciaaw.html>`_ |
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### | ||
API | ||
### | ||
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.. toctree:: | ||
:maxdepth: 1 | ||
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ciaaw.rst | ||
pyciaaw.rst | ||
raw_data.rst |
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******* | ||
pyciaaw | ||
******* | ||
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.. automodule:: pyciaaw | ||
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SAW (Standard atomic weights) | ||
=============================== | ||
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pyciaaw.saw | ||
=========== | ||
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.. automodule:: pyciaaw.saw_latest | ||
:members: | ||
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pyciaaw.saw_2021 | ||
================ | ||
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.. automodule:: pyciaaw.saw_2021 | ||
:members: |
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******** | ||
Raw data | ||
******** | ||
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Latest | ||
====== | ||
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.. literalinclude:: ../../../../srcgen/ciaaw_saw/saw_latest.txt | ||
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2018 | ||
==== | ||
.. literalinclude:: ../../../../srcgen/ciaaw_saw/saw_2021.txt |
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##### | ||
ciaaw | ||
##### | ||
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.. toctree:: | ||
:maxdepth: 1 | ||
:caption: Contents: | ||
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0-getting_started/index.rst | ||
1-user_guide/index.rst | ||
2-releases/index.rst | ||
3-api/index.rst | ||
references/index.rst | ||
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.. only:: html | ||
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Search | ||
================== | ||
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* :ref:`search` |
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.. only:: html | ||
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Bibliography | ||
============================= | ||
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.. toctree:: | ||
:maxdepth: 2 | ||
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.. bibliography:: |