brucefan1983 / GPUMD

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

Default velocity #653

Closed brucefan1983 closed 3 months ago

brucefan1983 commented 3 months ago

When velocity is missing from run.in, now the code initializes the velocities with a temperature of 300 K, instead of showing the previous "undefined" behavoir.

Fixing #607