Samuel Coles

icon company University Of Cambridge icon location Cambridge UK icon location Research Associate in the Department of Chemistry at the University of Cambridge, in the ICE group. Until recently a postdoc with @bjmorgan in Bath.

Results 3 comments of Samuel Coles

Confusing inputs for the time between steps in the file

Yeah, this can be a source of confusion, and the change is a good move. Still, I would introduce a new terminology perhaps` time_gap` or similar to prevent confusion with...

Confusing inputs for the time between steps in the file

I think the error plan would help a lot, but I worry that `time_step` will have a particular MD-based meaning for the user base, and may cause confusion. I could...

Confusing inputs for the time between steps in the file

`time_spacing` `temporal_spacing ` `stride_length` (inspired by i-pi)