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Releases: AlexGabourie/thermo

thermo-v0.2

06 Jul 20:56
0da5623
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thermo-v0.2 Pre-release
Pre-release

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requirements.txt is now out of date due to Python2 end-of-life.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

13 Feb 00:39
fed1b59
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thermo-v0.1 Pre-release
Pre-release

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.