Append to a thermoHBIcheck.txt for debugging HBI thermo estimates.
Append to a thermoHBIcheck.txt for debugging HBI thermo estimates.

Any thermo estimated via HBI radical corrections to a QM calculation
will be appended to a thermoHBIcheck.txt file, for comparison
with RMG-Java. Be sure to wipe the file between runs!
(and revert this commit when no longer needed)
nyee/RMG-Py,chatelak/RMG-Py,faribas/RMG-Py,enochd/RMG-Py,comocheng/RMG-Py,chatelak/RMG-Py,enochd/RMG-Py,nickvandewiele/RMG-Py,pierrelb/RMG-Py,nyee/RMG-Py,nickvandewiele/RMG-Py,faribas/RMG-Py,KEHANG/RMG-Py,KEHANG/RMG-Py,comocheng/RMG-Py,pierrelb/RMG-Py