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cmelab / planckton

Reproducible exploration of organic photovoltaic morphology self-assembly using molecular dynamics.
GNU General Public License v3.0
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Sync first frames of gsd and logfile writer #87

Open jennyfothergill opened 2 years ago

jennyfothergill commented 2 years ago

During reproducibility study I've learned that a single point energy breakdown is really helpful when debugging issues. I think the gsdwriter currently writes out the first frame but the logfile does not--let's fix it.