search

brucefan1983 / GPUMD

Graphics Processing Units Molecular Dynamics
https://gpumd.org/dev
GNU General Public License v3.0
454 stars 115 forks source link

Add output for stopping_power_loss in electron_stop #633

Closed Jonsnow-willow closed 4 months ago

Jonsnow-willow commented 4 months ago

In the current implementation of electron_stop.cu, the stopping_power_loss is not calculated and outputted. This variable could provide valuable insights into the stopping power loss during the simulation. I suggest adding a mechanism to output this variable by writing it to a file for further analysis

stopping_power_loss += stopping_power * sqrt(v2) * timestep; Additionally, the timestep (an adaptive timestep) would be passed as a parameter to the function.

Jonsnow-willow commented 4 months ago

The feature has been implemented. See the PR #634