While making the 0.3.4 release, @christoffkok and I discovered other problems that we fixed after the release was pushed to PyPI. These were important changes, which need to be made available in the auxi production release ASAP.
Purpose
The purpose of this release is to incorporate the fixes made while making the 0.3.4 release into the next release.
Scope
The thermochemistry files written by auxi could not be read by auxi, which made it very difficult to work with json files that were created by converting FactSage data. I extract data from FactSage often, and then convert them to auxi's json format.
The Rao and NIST data in the auxi package could also did not comply with the format written by auxi. I loaded these with the old load routine, and then wrote them out with Compound.write. I replaced the old data files with these.
Background
While making the 0.3.4 release, @christoffkok and I discovered other problems that we fixed after the release was pushed to PyPI. These were important changes, which need to be made available in the auxi production release ASAP.
Purpose
The purpose of this release is to incorporate the fixes made while making the 0.3.4 release into the next release.
Scope
The thermochemistry files written by
auxicould not be read byauxi, which made it very difficult to work with json files that were created by converting FactSage data. I extract data from FactSage often, and then convert them toauxi's json format.The Rao and NIST data in the
auxipackage could also did not comply with the format written byauxi. I loaded these with the old load routine, and then wrote them out withCompound.write. I replaced the old data files with these.