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

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MBartkowiakSTFC wants to merge 2 commits into
protosfrom
velocity-unit-forcite
Open

Change velocity unit of trj files to ang/ps#1250
MBartkowiakSTFC wants to merge 2 commits into
protosfrom
velocity-unit-forcite

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@MBartkowiakSTFC

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Description of work
Assumes that velocity in trj files (e.g. from Forcite) is given in units of Ang/ps. This seems to work file for the trajectories of water and nylon from MDANSE-Examples.

Closes #1249

Fixes

  1. Changed "ang/fs" to "ang/ps".

To test
Calculate the temperature of water or nylon from the example trajectories. It should be less than 500K.

@MBartkowiakSTFC MBartkowiakSTFC force-pushed the velocity-unit-forcite branch from f1798a6 to 06ed5b9 Compare June 30, 2026 07:53
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[BUG] Velocity unit in trj files (DFTB converter)

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