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update docs to python 3 #389

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9 changes: 5 additions & 4 deletions burnman/__init__.py
Original file line number Diff line number Diff line change
Expand Up @@ -98,7 +98,7 @@
2. Clone the BurnMan repository ``git clone https://github.com/geodynamics/burnman.git``
3. Go to the Burnman examples directory and type:
``python example_beginner.py``
Figures should show up, indicating that it is working.
Figures should show up, indicating that it is working.


Install on a Mac
Expand All @@ -114,7 +114,7 @@
4. Install the latest Sympy from http://sourceforge.net/projects/sympy/files/
5. Install the latest Matplotlib from http://sourceforge.net/projects/matplotlib/files/matplotlib/matplotlib-1.1.1/
6. Clone the BurnMan repository ``git clone https://github.com/geodynamics/burnman.git``
7. Go to the Burnman examples directory and type `python example_beginner.py`
7. Go to the Burnman examples directory and type ``python example_beginner.py``
Figures should show up, indicating that it is working.

Install under Windows
Expand All @@ -140,11 +140,12 @@

- Cottaar, S., Heister, T., Myhill, R., Rose, I., and Unterborn, C. (2017):
BurnMan v0.10.0 [Software]. Computational Infrastructure for Geodynamics. Zenodo.
`(link) <https://doi.org/10.5281/zenodo.546210>`_
`(https://doi.org/10.5281/zenodo.546210) <https://doi.org/10.5281/zenodo.546210>`_

- Cottaar S., Heister, T., Rose, I., and Unterborn, C., 2014, BurnMan: A
lower mantle mineral physics toolkit, Geochemistry, Geophysics, and
Geosystems, 15(4), 1164-1179 `(link) <https://doi.org/10.1002/2013GC005122>`_
Geosystems, 15(4), 1164-1179 `(https://doi.org/10.1002/2013GC005122)
<https://doi.org/10.1002/2013GC005122>`_

Contributing to BurnMan
-----------------------
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6 changes: 4 additions & 2 deletions burnman/minerals/DKS_2013_liquids.py
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Expand Up @@ -3,8 +3,10 @@
# Released under GPL v2 or later.

"""
DKS_2013
Liquids from de Koker and Stixrude (2013) FPMD simulations
DKS_2013_liquids
^^^^^^^^^^^^^^^^

Liquids from de Koker and Stixrude (2013) FPMD simulations.
"""

from ..mineral import Mineral
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2 changes: 2 additions & 0 deletions burnman/minerals/DKS_2013_solids.py
Original file line number Diff line number Diff line change
Expand Up @@ -4,6 +4,8 @@

"""
DKS_2013_solids
^^^^^^^^^^^^^^^

Solids from de Koker and Stixrude (2013) FPMD simulations
"""

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8 changes: 5 additions & 3 deletions burnman/minerals/HHPH_2013.py
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Expand Up @@ -5,10 +5,12 @@

"""
HHPH_2013
Minerals from Holland et al 2013 and references therein
^^^^^^^^^

Minerals from Holland et al. (2013) and references therein.
The values in this document are all in S.I. units,
unlike those in the original paper
File autogenerated using HHPHdata_to_burnman.py
unlike those in the original paper.
File autogenerated using HHPHdata_to_burnman.py.
"""
from __future__ import absolute_import

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10 changes: 6 additions & 4 deletions burnman/minerals/HP_2011_ds62.py
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Expand Up @@ -5,11 +5,13 @@

"""
HP_2011 (ds-62)
Endmember minerals from Holland and Powell 2011 and references therein
Update to dataset version 6.2
^^^^^^^^^^^^^^^

Endmember minerals from Holland and Powell 2011 and references therein.
Update to dataset version 6.2.
The values in this document are all in S.I. units,
unlike those in the original tc-ds62.txt
File autogenerated using HPdata_to_burnman.py
unlike those in the original tc-ds62.txt.
File autogenerated using HPdata_to_burnman.py.
"""

from ..mineral import Mineral
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48 changes: 29 additions & 19 deletions burnman/minerals/HP_2011_fluids.py
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Expand Up @@ -6,28 +6,38 @@
"""

HP_2011_fluids
^^^^^^^^
^^^^^^^^^^^^^^

Fluids from Holland and Powell 2011 and references therein.
CORK parameters:
CHO gases from Holland and Powell, 1991. ["CO2",304.2,0.0738],["CH4",190.6,0.0460],["H2",41.2,0.0211],["CO",132.9,0.0350]
H2O and S2 from Wikipedia, 2012/10/23. ["H2O",647.096,0.22060],["S2",1314.00,0.21000]
H2S from ancyclopedia.airliquide.com, 2012/10/23. ["H2S",373.15,0.08937]

NB: Units for cork[i] in Holland and Powell datasets are
a = kJ^2/kbar*K^(1/2)/mol^2 -> multiply by 1e-2
b = kJ/kbar/mol -> multiply by 1e-5
c = kJ/kbar^1.5/mol -> multiply by 1e-9
d = kJ/kbar^2/mol -> multiply by 1e-13

Individual terms are divided through by P, P, P^1.5, P^2, so
[0][j] -> multiply by 1e6
[1][j] -> multiply by 1e3
[2][j] -> multiply by 1e3
[3][j] -> multiply by 1e3

cork_P: kbar -> multiply by 1e8
CORK parameters are taken from various sources.

CHO gases from Holland and Powell, 1991:
- ["CO2",304.2,0.0738]
- ["CH4",190.6,0.0460]
- ["H2",41.2,0.0211]
- ["CO",132.9,0.0350]

H2O and S2 from Wikipedia, 2012/10/23:
- ["H2O",647.096,0.22060]
- ["S2",1314.00,0.21000]

H2S from ancyclopedia.airliquide.com, 2012/10/23:
- ["H2S",373.15,0.08937]

NB: Units for cork[i] in Holland and Powell datasets are:
- a = kJ^2/kbar*K^(1/2)/mol^2: multiply by 1e-2
- b = kJ/kbar/mol: multiply by 1e-5
- c = kJ/kbar^1.5/mol: multiply by 1e-9
- d = kJ/kbar^2/mol: multiply by 1e-13

Individual terms are divided through by P, P, P^1.5, P^2, so:
- [0][j]: multiply by 1e6
- [1][j]: multiply by 1e3
- [2][j]: multiply by 1e3
- [3][j]: multiply by 1e3
- cork_P is given in kbar: multiply by 1e8
"""

from __future__ import absolute_import

from ..mineral import Mineral
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2 changes: 2 additions & 0 deletions burnman/minerals/JH_2015.py
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Expand Up @@ -5,6 +5,8 @@

"""
JH_2015
^^^^^^^

Solid solutions from Jennings and Holland, 2015 and references therein
(10.1093/petrology/egv020).
The values in this document are all in S.I. units,
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6 changes: 4 additions & 2 deletions burnman/minerals/RS_2014_liquids.py
Original file line number Diff line number Diff line change
Expand Up @@ -3,8 +3,10 @@
# Released under GPL v2 or later.

"""
RS_2014
Liquids from Ramo and Stixrude (2014) FPMD simulations
RS_2014_liquids
^^^^^^^^^^^^^^^

Liquids from Ramo and Stixrude (2014) FPMD simulations.
There are some typos in the article which have been corrected where marked
with the help of David Munoz Ramo.
"""
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6 changes: 4 additions & 2 deletions burnman/minerals/SLB_2011.py
Original file line number Diff line number Diff line change
Expand Up @@ -5,8 +5,10 @@

"""
SLB_2011
Minerals from Stixrude & Lithgow-Bertelloni 2011 and references therein
File autogenerated using SLBdata_to_burnman.py
^^^^^^^^

Minerals from Stixrude & Lithgow-Bertelloni 2011 and references therein.
File autogenerated using SLBdata_to_burnman.py.
"""

from __future__ import absolute_import
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3 changes: 0 additions & 3 deletions burnman/tools.py
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Expand Up @@ -882,9 +882,6 @@ def compare_l2(depth, calc, obs):
"""
Computes the L2 norm for N profiles at a time (assumed to be linear between points).

.. math:: math does not work yet...
\sum_{i=1}^{\\infty} x_{i}

:type depths: array of float
:param depths: depths. :math:`[m]`
:type calc: list of arrays of float
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1 change: 0 additions & 1 deletion sphinx/api.rst
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Expand Up @@ -3,7 +3,6 @@ Autogenerated Full API


.. toctree::
main
materials
eos
solution_models
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18 changes: 12 additions & 6 deletions sphinx/averaging.rst
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@@ -1,38 +1,44 @@
Averaging Schemes
=================

Given a set of mineral physics parameters and an equation of state we can calculate the density, bulk, and shear modulus for a given phase.
However, as soon as we have a composite material (e.g., a rock), the determination of elastic properties become more complicated.
The bulk and shear modulus of a rock are dependent on the specific geometry of the grains in the rock, so there is no general
formula for its averaged elastic properties. Instead, we must choose from a number of averaging schemes if we want a single value,
or use bounding methods to get a range of possible values. The module :mod:`burnman.averaging_schemes` provides a number of different
Given a set of mineral physics parameters and an equation of state we can calculate the density, bulk, and shear modulus for a given phase.
However, as soon as we have a composite material (e.g., a rock), the determination of elastic properties become more complicated.
The bulk and shear modulus of a rock are dependent on the specific geometry of the grains in the rock, so there is no general
formula for its averaged elastic properties. Instead, we must choose from a number of averaging schemes if we want a single value,
or use bounding methods to get a range of possible values. The module :mod:`burnman.averaging_schemes` provides a number of different
average and bounding schemes for determining a composite rock's physical parameters.

Base class
-----------

.. autoclass:: burnman.averaging_schemes.AveragingScheme

Voigt bound
-----------

.. autoclass:: burnman.averaging_schemes.Voigt

Reuss bound
-----------

.. autoclass:: burnman.averaging_schemes.Reuss

Voigt-Reuss-Hill average
------------------------

.. autoclass:: burnman.averaging_schemes.VoigtReussHill

Hashin-Shtrikman upper bound
----------------------------

.. autoclass:: burnman.averaging_schemes.HashinShtrikmanUpper

Hashin-Shtrikman lower bound
----------------------------

.. autoclass:: burnman.averaging_schemes.HashinShtrikmanLower

Hashin-Shtrikman arithmetic average
-----------------------------------
.. autoclass:: burnman.averaging_schemes.HashinShtrikmanAverage

.. autoclass:: burnman.averaging_schemes.HashinShtrikmanAverage
1 change: 0 additions & 1 deletion sphinx/composites.rst
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Expand Up @@ -5,4 +5,3 @@ Base class
----------

.. autoclass:: burnman.composite.Composite

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