[cig-commits] [commit] add_gibbs_energy: Changed zero equality for endmember occupancy to tolerance (2228a98)

[cig_noreply at geodynamics.org]

Repository : https://github.com/geodynamics/burnman

On branch  : add_gibbs_energy
Link       : https://github.com/geodynamics/burnman/compare/0000000000000000000000000000000000000000...2148b324d3e8aa7b527f831eb397590942563008

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commit 2228a989d3a23a91606c5d817ab34bfc3c643025
Author: Bob Myhill <myhill.bob at gmail.com>
Date:   Wed Sep 3 23:55:19 2014 +0200

    Changed zero equality for endmember occupancy to tolerance


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2228a989d3a23a91606c5d817ab34bfc3c643025
 burnman/solutionmodel.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/burnman/solutionmodel.py b/burnman/solutionmodel.py
index 93022b5..56549b6 100644
--- a/burnman/solutionmodel.py
+++ b/burnman/solutionmodel.py
@@ -90,7 +90,7 @@ class IdealSolution ( SolutionModel ):
         self.endmember_configurational_entropies=np.zeros(shape=(self.n_endmembers))
         for idx, endmember_occupancy in enumerate(self.endmember_occupancies):
             for occ in range(self.n_occupancies):
-                if endmember_occupancy[occ] != 0.: 
+                if endmember_occupancy[occ] > 1e-10: 
                     self.endmember_configurational_entropies[idx] = \
                         self.endmember_configurational_entropies[idx] - \
                         R*self.site_multiplicities[occ]*endmember_occupancy[occ]*np.log(endmember_occupancy[occ])