[cig-commits] [commit] add_thermodynamic_potentials: Bugfix (b840571)
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cig_noreply at geodynamics.org
Tue Dec 9 09:57:32 PST 2014
Repository : https://github.com/geodynamics/burnman
On branch : add_thermodynamic_potentials
Link : https://github.com/geodynamics/burnman/compare/2e5646d93cedbbf8eae54cc37cffc14e0aa85180...d5ddad03ff9f30f5a4efaddb4e3ec585ea1a7c51
>---------------------------------------------------------------
commit b840571fd1fc49ae285a5d726084171087092b54
Author: ian-r-rose <ian.r.rose at gmail.com>
Date: Fri Sep 26 22:30:16 2014 -0700
Bugfix
>---------------------------------------------------------------
b840571fd1fc49ae285a5d726084171087092b54
burnman/equilibriumassemblage.py | 5 ++---
1 file changed, 2 insertions(+), 3 deletions(-)
diff --git a/burnman/equilibriumassemblage.py b/burnman/equilibriumassemblage.py
index b22c949..135e9b8 100644
--- a/burnman/equilibriumassemblage.py
+++ b/burnman/equilibriumassemblage.py
@@ -132,12 +132,11 @@ class EquilibriumAssemblage(burnman.Material):
n = len(phase.base_material)
frac = np.sum(species_vector[i:(i+n)])
- molar_fractions = ( species_vector[i:(i+n)]/frac if frac > 0.0 else np.ones( n )/n )
-
+ molar_fractions = ( species_vector[i:(i+n)]/frac if (frac > 1.e-6) else np.ones( n )/n )
phase.set_composition( molar_fractions )
phase.set_state( pressure, temperature )
- tmp_gibbs += phase.gibbs
+ tmp_gibbs += phase.gibbs * (frac if frac > 1.e-6 else 0.0)
i+=n
elif isinstance(phase, burnman.Mineral):
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