Releases: AlexGabourie/thermo
Releases · AlexGabourie/thermo
thermo-v0.2
Compatible with GPUMD-v2.4.1
- Only Python2 compatible
requirements.txt is now out of date due to Python2 end-of-life. Please run the following commands before attempting to install:
pip install ase==3.17.0
pip install numericalunits==1.23
to use the correct, Python2 supported packages.
thermo-v0.1
Works with GPUMD-v2.1. GPUMD changes some input/output file structures that will either render some of this code obsolete or incorrect.
- Only Python2 compatible.