trying to approximate alpha pinene

Author: ZocoLini

example-files/alpha_pinene_cuqdyn_config.xml

@@ -2,8 +2,8 @@
 
 <cuqdyn-config>
     <tolerances>
-        <rtol>1e-16</rtol>
-        <atol>1e-16, 1e-16, 1e-16, 1e-16, 1e-16</atol>
+        <rtol>1e-14</rtol>
+        <atol>1e-14, 1e-14, 1e-14, 1e-14, 1e-14</atol>
     </tolerances>
     <ode_expr y_count="5" p_count="5">
         alpha-pinene

example-files/alpha_pinene_ess_mpi_config.xml

@@ -7,7 +7,7 @@
         <verbose>0</verbose>
         <local_search>1</local_search>
         <stopping_criteria>
-            <maxevaluation>15e3</maxevaluation>
+            <maxevaluation>1e6</maxevaluation>
             <maxtime>1e10</maxtime>
             <vtr>0</vtr>
         </stopping_criteria>
@@ -56,11 +56,8 @@
             0, 0, 0, 0, 0
         </lb>
         <ub>
-            1, 1, 1, 1, 1
+            0.001, 0.001, 0.001, 0.0001, 0.001
         </ub>
-        <initial_point>
-            1, 1, 1, 1, 1
-        </initial_point>
     </problem>
 
 </xml>