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Change velocity unit of trj files to ang/ps #1250

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Change velocity unit of trj files to ang/ps #1250

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6c3b1b5
Change velocity unit in trj files to ang/ps
MBartkowiakSTFC Jun 25, 2026
06ed5b9
Update reference trajectories for test_converters
MBartkowiakSTFC Jun 25, 2026
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2 changes: 1 addition & 1 deletion MDANSE/Src/MDANSE/Framework/Parsers/trj.py
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Original file line number Diff line number Diff line change
Expand Up @@ -199,7 +199,7 @@ def _process_cell_info(self, rec: bytes):

UNIT_CONV = {
"pos": measure(1.0, "ang").toval("nm"),
"vel": measure(1.0, "ang/fs").toval("nm/ps"),
"vel": measure(1.0, "ang/ps").toval("nm/ps"),
"force": measure(1.0, "kcal_per_mole/ang", equivalent=True).toval(
"Da nm/ps2 mol"
),
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