[cig-commits] [commit] add_gibbs_energy: Variable change to ease comparison with diagram (f4cc5f2)
cig_noreply at geodynamics.org
cig_noreply at geodynamics.org
Thu Dec 11 17:12:02 PST 2014
Repository : https://github.com/geodynamics/burnman
On branch : add_gibbs_energy
Link : https://github.com/geodynamics/burnman/compare/0000000000000000000000000000000000000000...2148b324d3e8aa7b527f831eb397590942563008
>---------------------------------------------------------------
commit f4cc5f20607e43ad88d4cb881982868a7b70c3ed
Author: Bob Myhill <myhill.bob at gmail.com>
Date: Wed Sep 3 17:45:04 2014 +0200
Variable change to ease comparison with diagram
>---------------------------------------------------------------
f4cc5f20607e43ad88d4cb881982868a7b70c3ed
solidsolution_benchmarks.py | 36 ++++++++++++++++++------------------
1 file changed, 18 insertions(+), 18 deletions(-)
diff --git a/solidsolution_benchmarks.py b/solidsolution_benchmarks.py
index 62538e4..4b27be6 100644
--- a/solidsolution_benchmarks.py
+++ b/solidsolution_benchmarks.py
@@ -73,26 +73,26 @@ class mg_tschermaks_molecule (burnman.Mineral):
'Gprime_0': 1.5 ,
'eta_s_0': 2.5 }
-class orthopyroxene_a(burnman.SolidSolution):
+class orthopyroxene_red(burnman.SolidSolution):
def __init__(self):
# Name
self.name='orthopyroxene'
# Endmembers (cpx is symmetric)
- base_material = [[enstatite(), '[Mg][Mg][Si]SiO6'],[mg_tschermaks_molecule(), '[Mg][Al][Al]SiO6'] ]
+ base_material = [[enstatite(), 'Mg[Mg][Si]SiO6'],[mg_tschermaks_molecule(), 'Mg[Al][Al]SiO6'] ]
# Interaction parameters
enthalpy_interaction=[[0.0]]
burnman.SolidSolution.__init__(self, base_material, \
burnman.solutionmodel.SymmetricRegularSolution(base_material, enthalpy_interaction) )
-class orthopyroxene_b(burnman.SolidSolution):
+class orthopyroxene_blue(burnman.SolidSolution):
def __init__(self):
# Name
self.name='orthopyroxene'
# Endmembers (cpx is symmetric)
- base_material = [[enstatite(), '[Mg][Mg]Si2O6'],[mg_tschermaks_molecule(), '[Mg][Al]AlSiO6'] ]
+ base_material = [[enstatite(), 'Mg[Mg]Si2O6'],[mg_tschermaks_molecule(), 'Mg[Al]AlSiO6'] ]
# Interaction parameters
enthalpy_interaction=[[0.0]]
@@ -100,30 +100,30 @@ class orthopyroxene_b(burnman.SolidSolution):
burnman.SolidSolution.__init__(self, base_material, \
burnman.solutionmodel.SymmetricRegularSolution(base_material, enthalpy_interaction) )
-opx_a = orthopyroxene_a()
-opx_a.set_method('slb3')
-opx_b = orthopyroxene_b()
-opx_b.set_method('slb3')
+opx_red = orthopyroxene_red()
+opx_red.set_method('slb3')
+opx_blue = orthopyroxene_blue()
+opx_blue.set_method('slb3')
comp = np.linspace(0, 1.0, 100)
-entropy_a = np.empty_like(comp)
-entropy_b = np.empty_like(comp)
+entropy_red = np.empty_like(comp)
+entropy_blue = np.empty_like(comp)
for i,c in enumerate(comp):
- opx_a.set_composition( np.array([1.0-c, c]) )
- opx_a.set_state( 0.0, 0.0 )
- entropy_a[i] = opx_a.solution_model.configurational_entropy( [1.0-c, c] )
+ opx_red.set_composition( np.array([1.0-c, c]) )
+ opx_red.set_state( 0.0, 0.0 )
+ entropy_red[i] = opx_red.solution_model.configurational_entropy( [1.0-c, c] )
- opx_b.set_composition( np.array([1.0-c, c]) )
- opx_b.set_state( 0.0, 0.0 )
- entropy_b[i] = opx_b.solution_model.configurational_entropy( [1.0-c, c] )
+ opx_blue.set_composition( np.array([1.0-c, c]) )
+ opx_blue.set_state( 0.0, 0.0 )
+ entropy_blue[i] = opx_blue.solution_model.configurational_entropy( [1.0-c, c] )
#fig1 = mpimg.imread('configurational_entropy.png') # Uncomment these two lines if you want to overlay the plot on a screengrab from SLB2011
#plt.imshow(fig1, extent=[0.0, 1.0,0.,17.0], aspect='auto')
-plt.plot( comp, entropy_a, 'b--', linewidth=3.)
-plt.plot( comp, entropy_b, 'r--', linewidth=3.)
+plt.plot( comp, entropy_red, 'r--', linewidth=3.)
+plt.plot( comp, entropy_blue, 'b--', linewidth=3.)
plt.xlim(0.0,1.0)
plt.ylim(0.,17.0)
plt.ylabel("Configurational enthalpy of solution")
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