As far as I am aware, the parameters delivered in the FrameData are in the correct units for NanoVer. However, when accessing the dynamics property of ASESimulation and ASEOpenMMSimulation objects directly, the quantities returned are in the ASE native units, which differ drastically from NanoVer's units.
This is understandable because we are accessing protected ASE properties that should not necessarily be accessible to us, so it makes sense that they are in ASE units. However, the confusing aspect is that we access these through a NanoVer simulation object, which one may naively think should be in NanoVer units...
As a minimum measure, this should be made clear in the documentation and the Jupyter notebooks where these features are used.
As far as I am aware, the parameters delivered in the FrameData are in the correct units for NanoVer. However, when accessing the
dynamicsproperty ofASESimulationandASEOpenMMSimulationobjects directly, the quantities returned are in the ASE native units, which differ drastically from NanoVer's units.This is understandable because we are accessing protected ASE properties that should not necessarily be accessible to us, so it makes sense that they are in ASE units. However, the confusing aspect is that we access these through a NanoVer simulation object, which one may naively think should be in NanoVer units...
As a minimum measure, this should be made clear in the documentation and the Jupyter notebooks where these features are used.