This is a breaking change, hence the increase in minor version number.
This will mean that the diffusion method will take a required argument that is the start of the diffusive regime in the simulation (where the analysis of the diffusion relation will begin).
Therefore, if you identify diffusion as starting at 4 ps (see notebooks for examples), the following is required:
This is a breaking change, hence the increase in minor version number.
This will mean that the
diffusionmethod will take a required argument that is the start of the diffusive regime in the simulation (where the analysis of the diffusion relation will begin).Therefore, if you identify diffusion as starting at 4 ps (see notebooks for examples), the following is required:
Any feedback is welcome.