added example file to do iterative optimization

This commit is contained in:
titusquah
2020-07-14 17:02:29 -06:00
parent ac8067baf4
commit 159a5c8140
9 changed files with 1304 additions and 44 deletions

View File

@@ -50,7 +50,7 @@
<const_cp Tmax="300.0" Tmin="298.0">
<t0 units="K">298.14999999999998</t0>
<h0 units="J/mol" updated="Updated at 12:14 7-10-2020">-4704699.156668724</h0>
<h0 units="J/mol" updated="Updated at 10:50 7-14-2020">-4704699.156668724</h0>
<s0 units="J/mol/K"> 1117.965 </s0>
<cp0 units="J/mol/K">0.0</cp0>
</const_cp>