Works for PLOG but badly fitting

Argonne-National-Laboratory · May 4, 2021 · e9d957f · e9d957f
1 parent 9fb5d64
commit e9d957f
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Showing 2 changed files with 4 additions and 4 deletions.
diff --git a/src/calculate/optimize/fit_fcn.py b/src/calculate/optimize/fit_fcn.py
@@ -58,7 +58,7 @@ def update_mech_coef_opt(mech, coef_opt, x):
 
             mech_changed = True
             mech.coeffs[rxnIdx][coeffs_key][coefName] = x[i]
-    
+
     if mech_changed:
         mech.modify_reactions(mech.coeffs)  # Update mechanism with new coefficients
 

diff --git a/src/calculate/optimize/mech_optimize.py b/src/calculate/optimize/mech_optimize.py
@@ -56,8 +56,8 @@ def start_threads(self):
             return
 
         # Specify coefficients to be optimized
-        self.coef_opt = coef_opt = self._set_coef_opt()
-        if not coef_opt: # if nothing to optimize, don't!
+        self.coef_opt = self._set_coef_opt()
+        if not self.coef_opt: # if nothing to optimize, don't!
             parent.log.append('No reactions or coefficients set to be optimized\n')
             return         
 
@@ -141,7 +141,7 @@ def start_threads(self):
             parent.max_processors = 1
 
         # Pass the function to execute
-        self.worker = Worker(parent, self.shocks2run, parent.mech, coef_opt, rxn_coef_opt, rxn_rate_opt)
+        self.worker = Worker(parent, self.shocks2run, parent.mech, self.coef_opt, rxn_coef_opt, rxn_rate_opt)
         self.worker.signals.result.connect(self.on_worker_done)
         self.worker.signals.finished.connect(self.thread_complete)
         self.worker.signals.update.connect(self.update)