ANL-CEEESA/LLEPE
1
0
Fork 0
mirror of https://github.com/ANL-CEEESA/LLEPE.git synced 2025-12-06 01:48:53 -06:00
Code Issues Packages Projects Releases Wiki Activity

Added r-squared printout to parity plot. Fixed default optimizer to detect number of dimensions and update bounds to match.

Browse Source
This commit is contained in:
titusquah
2020-06-08 11:02:04 -06:00
parent 07d6a0ac3c
commit a0e8bdb9fd
6 changed files with 107 additions and 67 deletions
Download Patch File Download Diff File Expand all files Collapse all files

2
data/xmls/twophase.xml
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 14:15 6-5-2020">-4704703.645715787</h0>
<h0 units="J/mol" updated="Updated at 14:33 6-5-2020">-4704699.156668724</h0>
<s0 units="J/mol/K"> 1117.965 </s0>
<cp0 units="J/mol/K">0.0</cp0>
</const_cp>