GOMC parser does not load benzene files

alchemistry / alchemtest

the simple alchemistry test set

https://alchemtest.readthedocs.io

BSD 3-Clause "New" or "Revised" License

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Closed msoroush closed 5 years ago

msoroush commented 5 years ago

After compressing the free energy files, I forgot to change the file name in access.py

This line data = sorted(glob(join(module_path, 'benzene', 'inWater', 'Free_Energy_BOX_0_PRODUCTION_*.dat')))

must be changed to

data = sorted(glob(join(module_path, 'benzene', 'inWater', 'Free_Energy_BOX_0_PRODUCTION_*.dat.bz2')))

orbeckst commented 5 years ago

Closed with PR #39