corrected mistake forbidding negative O content (reduced conditions)

ComputationalThermodynamics · Nov 28, 2024 · d059167 · d059167
1 parent 844c12a
commit d059167
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Showing 3 changed files with 4 additions and 3 deletions.
diff --git a/julia/MAGEMin_wrappers.jl b/julia/MAGEMin_wrappers.jl
@@ -900,7 +900,7 @@ function convertBulk4MAGEMin(bulk_in::T1,bulk_in_ox::Vector{String},sys_in::Stri
         MAGEMin_bulk[c[id0]] .= 1e-4;
     end
 
-    id1 = findall(MAGEMin_bulk[d] .< 2e-5)
+    id1 = findall(MAGEMin_bulk[d] .< 2e-5 .&& MAGEMin_bulk[d] .> -2e-5)
     if ~isempty(id1)
         MAGEMin_bulk[d[id1]] .= 0.0;
     end

diff --git a/src/TC_database/TC_init_database.c b/src/TC_database/TC_init_database.c
@@ -1490,7 +1490,7 @@ global_variable get_bulk_metapelite_ext( global_variable gv) {
 		gv.bulk_rock[5]  = 1.7686;		/** K2O	 	*/
 		gv.bulk_rock[6]  = 2.4820;		/** Na2O 	*/
 		gv.bulk_rock[7]  = 0.6393;		/** TiO2 	*/
-		gv.bulk_rock[8]  = 0.1;			/** O 		*/
+		gv.bulk_rock[8]  = -0.5;		/** O 		*/
 		gv.bulk_rock[9]  = 0.0630;		/** MnO 	*/
 		gv.bulk_rock[10] = 10.0;		/** H2O 	*/
 		gv.bulk_rock[11] = 10.0;		/** CO2  	*/

diff --git a/src/initialize.c b/src/initialize.c
@@ -874,7 +874,8 @@ bulk_info reset_z_b_bulk(			global_variable 	 gv,
 	for (i = 0; i < gv.len_ox; i++) {
 		z_b.zEl_array[i] = 0.0;
 		z_b.bulk_rock[i] = gv.bulk_rock[i];
-		if (gv.bulk_rock[i] > 0.0){
+		// if (gv.bulk_rock[i] > 0.0){
+		if (gv.bulk_rock[i] != 0.0){
 			sum += 1;
 		}
 	}