The time step keyword

From GPUMD
Jump to navigation Jump to search

Purpose

Set the time step for integration.

Grammar

  • This keyword only requires a single parameter, which is the time step (in units of fs) for a run:
   time_step value

Examples

To set the time step to 1 fs, add

   time_step 1

before the run keyword.

Caveats

  • This keyword is propagating. That is, its effect will be passed from one run to the next.

Related keywords