version 1.2 release

Readme.md

@@ -1,5 +1,5 @@
-[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.7080174.svg)](https://doi.org/10.5281/zenodo.7080174)
-[![status](https://joss.theoj.org/papers/b9b95117098cf85598bb01dadbe62ee2/status.svg)](https://joss.theoj.org/papers/b9b95117098cf85598bb01dadbe62ee2)
+[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.8104293.svg)](https://doi.org/10.5281/zenodo.8104293)
+[![DOI](https://joss.theoj.org/papers/10.21105/joss.05464/status.svg)](https://doi.org/10.21105/joss.05464)
 
 # BurnMan - a thermoelastic and thermodynamic toolkit for the Earth and planetary sciences
 
@@ -21,7 +21,7 @@ Source code: https://github.com/geodynamics/burnman
 
 Forums: https://community.geodynamics.org/c/burnman
 
-Authors (as of 2022):
+Authors (as of 2023):
 * Bob (Robert) Myhill (main contributor)
 * Cayman Unterborn
 * Ian Rose

burnman/__init__.py

@@ -172,11 +172,16 @@
 
 If you use BurnMan in your work, we ask that you cite the following publications:
 
-  - Myhill, R., Cottaar, S., Heister, T., Rose, I., and Unterborn, C. (2022):
-    BurnMan v1.1.0 [Software]. Computational Infrastructure for Geodynamics. Zenodo.
-    `(https://doi.org/10.5281/zenodo.7080174) <https://doi.org/10.5281/zenodo.7080174>`_
+  - Myhill, R., Cottaar, S., Heister, T., Rose, I., Unterborn, C.,
+    Dannberg, J. and Gassmoeller, R. (2023). BurnMan - a Python toolkit for
+    planetary geophysics, geochemistry and thermodynamics. Journal of Open Source Software.
+    `(https://doi.org/10.21105/joss.05389) <https://doi.org/10.21105/joss.05389>`_
 
-  - Cottaar S., Heister, T., Rose, I., and Unterborn, C., 2014, BurnMan: A
+  - Myhill, R., Cottaar, S., Heister, T., Rose, I., and Unterborn, C. (2023):
+    BurnMan v1.2.0 [Software]. Computational Infrastructure for Geodynamics. Zenodo.
+    `(https://doi.org/10.5281/zenodo.8104293) <https://doi.org/10.5281/zenodo.8104293>`_
+
+  - 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 `(https://doi.org/10.1002/2013GC005122)
     <https://doi.org/10.1002/2013GC005122>`_

changelog.txt

@@ -1,5 +1,41 @@
 Changelog
 ---------
+Release v1.2.0 (July 1, 2023) includes
+  - Two new helper functions:
+    :func:`burnman.tools.chemistry.reactions_from_stoichiometric_matrix`
+    :func:`burnman.tools.chemistry.reactions_from_formulae`.
+    These functions generate a complete list of reactions
+    (forward and reverse) from either the stoichiometric matrix
+    (a 2D numpy array containing the amount of component j in phase i),
+    or from a list of formulae
+    (as strings or dictionaries of elemental amounts).
+  - Solution and ElasticSolution objects are now instantiated
+    with a SolutionModel object as a solution_model parameter.
+    The use of the solution_type parameter has been removed
+    completely, along with all of the optional parameters that were
+    originally passed as parameters to SolutionModel.
+  - A generalised PolynomialSolution class. The
+    non-ideal excesses in this model are polynomial functions
+    of composition. This class can deal with arbitrarily high powers in endmember
+    proportions. However, because the class internally converts the
+    list of lists to numpy arrays, high powers of solutions with a
+    large number of endmembers will create very large
+    arrays (with order n_endmembers^(highest power) elements).
+    This may significantly slow down calculations.
+  - Five new property modifier formulations,
+    which can be specified with the names "debye", "debye_delta",
+    "einstein", "einstein_delta" and "landau_slb_2022". These
+    are based on the Debye and Einstein models of thermal energy
+    and the Landau model of Stixrude and Lithgow-Bertelloni (2022).
+    The heat capacity ("debye", "einstein")
+    or entropy ("debye_delta", "einstein_delta")
+    are based on the heat capacity of the respective thermal model,
+    and reach a maximum at high temperature. The
+    excess energy, entropy and heat capacity of these four modifiers
+    are all zero at 0 K, and the excess volume is always zero.
+  - An implementation of the SLB2022 dataset.
+  - This version is associated with acceptance of the JOSS paper.
+
 Release v1.1.0 (September 14, 2022)
   - the equilibrate function now solves problems where the bulk composition is allowed to vary
   - the solution model formulation has been updated to allow site multiplicities to vary linearly with endmember proportions (as in a Temkin model)

docs/index.rst

@@ -28,11 +28,16 @@ Citing BurnMan
 
 If you use BurnMan in your work, we ask that you cite the following publications:
 
- - Myhill, R., Cottaar, S., Heister, T., Rose, I., and Unterborn, C. (2021):
-   BurnMan v1.0.1 [Software]. Computational Infrastructure for Geodynamics. Zenodo.
-   `(https://doi.org/10.5281/zenodo.7080174) <https://doi.org/10.5281/zenodo.7080174>`_
+ - Myhill, R., Cottaar, S., Heister, T., Rose, I., Unterborn, C.,
+   Dannberg, J. and Gassmoeller, R. (2023). BurnMan - a Python toolkit for
+   planetary geophysics, geochemistry and thermodynamics. Journal of Open Source Software.
+   `(https://doi.org/10.21105/joss.05389) <https://doi.org/10.21105/joss.05389>`_
 
- - Cottaar S., Heister, T., Rose, I., and Unterborn, C., 2014, BurnMan: A
+ - Myhill, R., Cottaar, S., Heister, T., Rose, I., and Unterborn, C. (2023):
+   BurnMan v1.2 [Software]. Computational Infrastructure for Geodynamics. Zenodo.
+   `(https://doi.org/10.5281/zenodo.8104293) <https://doi.org/10.5281/zenodo.8104293>`_
+
+ - 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 `(https://doi.org/10.1002/2013GC005122) <https://doi.org/10.1002/2013GC005122>`_
 

pyproject.toml

@@ -1,6 +1,6 @@
 [tool.poetry]
 name = "burnman"
-version = "1.2.0a0"
+version = "1.2.0"
 description = "A thermoelastic and thermodynamic toolkit for the Earth and planetary sciences"
 license = "GPL"
 authors = ["The BurnMan Team <[email protected]>",]