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uchicago-voth / cgmap

Simple fine-grained to coarse-grained molecular dynamics mapping code
Apache License 2.0
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Travis #2

Open zjarin opened 7 years ago

zjarin commented 7 years ago

There seem to be numerical issues when running travis.

Traj equality: Warning: Max relative coordinate residual: 2.43942140514e-05

alekepd commented 7 years ago

It's unclear why this occurs. It seems likely that it's simply numerical differences based on underlying libraries.

alekepd commented 7 years ago

Some of this also is exacerbated by limited precision output-- small rounding differences create large differences when reading trajectories back in.