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3 changed files with 15 additions and 3 deletions
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@ -32,7 +32,7 @@ endif
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#
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#LOCAL_DEFS=-DDEBUG_BASISOPTIMIZE
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#
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LOCAL_DEFS=-DDEBUG_BASISOPTIMIZE -DDEBUG_CHEMEQUIL
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#LOCAL_DEFS=-DDEBUG_BASISOPTIMIZE -DDEBUG_CHEMEQUIL
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#
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PIC_FLAG=@PIC@
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@ -337,6 +337,9 @@ namespace Cantera {
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sum += theta[k];
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}
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if (sum <= 0.0) {
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for (k = 0; k < m_kk; k++) {
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cout << "theta(" << k << ") = " << theta[k] << endl;
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}
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throw CanteraError("SurfPhase::setCoverages",
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"Sum of Coverage fractions is zero or negative");
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}
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13
config.cmake
13
config.cmake
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@ -78,6 +78,15 @@ SET( NUMARRAY_HOME "$HOME/python_packages")
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SET( CANTERA_VERSION "1.7.1")
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SET( WITH_PURE_FLUIDS 1 )
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SET( WITH_LATTICE_SOLID 0 )
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SET( WITH_METAL 1 )
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SET( WITH_STOICH_SUBSTANCE 1 )
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SET ( WITH_IDEAL_SOLUTIONS 1 )
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SET (WITH_ELECTROLYTES 1 )
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SET( BUILD_F90_INTERFACE 1)
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SET( F90 "default" )
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