[cig-commits] [commit] master's head updated: remove missing mineral database (2a12ed4)
cig_noreply at geodynamics.org
cig_noreply at geodynamics.org
Fri Dec 12 09:31:21 PST 2014
Repository : https://github.com/geodynamics/burnman
Branch 'master' now includes:
a979bde Adding non-functional solidsolution.py
4646fab Abbreviate kd
6246665 Add Modified Tait EoS and expression for G
d29f046 Added molar mass calculator and data table
7b49197 Added endmember Gibbs with Landau, and a new test script.
d696c99 Started work on Bragg-Williams order-disorder.
db3af2d Continued work on Bragg-Williams order-disorder.
9897b21 Attempts to locate tc-burnman discrepancies
0bd6fe5 Implemented HP2011 Landau and Bragg-Williams order-disorder models for endmembers
d8e5330 Added comment to warn that Cp, V where Landau/Bragg-Williams order-disorder is implemented are currently incorrect
9596d37 Minor edit
6744559 Implemented sample_pressure attribute for experimental data inversion
5aeee09 Add interface for thermodynamic potentials
91e92f9 Update name of gibbs function
dcb438c Add einstein thermal model
d136ccc Use einstein.py to do the heat capacity stuff, implement a few of the not-yet-completed thermodynamic functions
3a7cc54 Remove unnecessary inheritance
379dc42 Bugfixes
61143d0 Add the ability to calculate Helmholtz and Gibbs free energies to SLB, and more generally to anything using the Debye model.
891c5f0 Remove already inherited methods
0173631 Calculate Gibbs and Helmholtz in the mineral class, but fail silently if they are not implemented/unable.
3fd4238 First alpha of SolidSolution base class
43d6979 Corrected sign of S excess
e8a41f5 Added configurational entropy to solidsolution.py
7286308 Rename to emphasize extensive quantity
7431641 Added more attributes to the solidsolution class
8e7ba31 Rejigged SolidSolution class
bde5c26 Added check for endmember and solid solution member compositional equality
8b38090 Documented and changed name of sample_pressure (now eos_pressure)
5a825ac Changed comment blob for burnman.SolidSolution
494f1dd Add pressure to the various EOSs that need it
4e685fe Initial version of SolutionModel class, including one that does nothing, and IdealSolution class, a SymmetricVanLaar class, and an AsymmetricVanLaar class. Still work to be done
3414b8a Add missing file
e0dc4ab Rename classes
7adde8f Commented functions in processchemistry.py
e385354 Patch up so that the new stuff works as a package
a743951 Bug fixes
dbfaa63 Move out of burnman directory
ccc4f06 Add the enthalpy of solution benchmark
c2a30cf Added compositional array construction
26bdb24 Split configurational entropy from ideal gibbs
1ddc4c0 Minor bug fix
53e469c Fix typos
db12d11 Start trying to do configurational entropy benchmark
751c366 Bugfix
a0acae0 Reproduce two of the curves from fig 3b
ed83851 Use np.power
54bfdc7 Temporary fix until ProcessSolidSolutionChemistry is fixed
a7672d4 Bug fix for formula parsing
e47cb7b Another bug fix for processchemistry.py
4505983 Remove unnecessary ones.
f4cc5f2 Variable change to ease comparison with diagram
aec2338 Implemented endmember configurational entropies for disordered phases
bee7cac Overlay screengrabs
b18f1ef Add another configurational entropy example
ce35392 Simplified configurational entropy calculation
7929428 Finished ideal activity formulation
2228a98 Changed zero equality for endmember occupancy to tolerance
c70b6cd Widened compositional bounds on spinel entropy benchmark
c9e4070 Added comment for origin of formula in benchmark
b2d755e Bugfix
7cabc48 Tweaked axes in solidsolution benchmarks
43ef3b9 Emphasised the physical meaning of the normalisation constant in activity calculations
39b3e83 Moved HP2011 test to tests directory
84fbe9b Fixed Gibbs bug created last night
b2549c6 Removed pressure as input variable to F(V,T) and volume as input variable to Gibbs(P,T)
cdc75d9 Added P,T attributes and calcgibbs to solid solution class
c376611 Allow multiple instances of same element in endmember formulae
9125d96 Bugfix for entropy term in ideal_gibbs_excess, added partial gibbs functions
00b57f4 Added set_method to solid solution initialisation, added partial gibbs function
4ac0c70 Added temporary test for previously buggy gibbs excesses
a5f1619 Use burnman.constants
a8c6a1a Unify how R is imported
b5e9ebb Added vacancies to atomic_masses.dat
e43ade1 Updated process chemistry to accept fractions
1529078 Add benchmark, and make bugfix associated with doing benchmark
eb34fce Disorganized work on getting dGdN stuff working
2041882 Add partial derivatives of gibbs to modified tait (H, S, Cp)
60c42ef Added H, S, V calculations to solidsolution.py
214f301 Bug fix
a1dfe00 add self
9c2a78f Farmed out endmember disorder functions, added preliminary solution properties
aa99411 fix constants
2148b32 add entropy to EOS, remove volume parameter
5bb74c6 Added correct forms of derived properties to solid solution
9166820 Added 1-mineral solidsolution test
89647e0 Fixed bug in solid solution, unified mbr and ss property derivations
aec027d 3 more tests for solid solutions
7497705 Merge branch 'add_gibbs_energy'
2a12ed4 remove missing mineral database
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