GPU-Accelerated GOMC

All moves use the following general GPU-Accelerated kernels:
  • All-molecule Intermolecular Lennard Jones and Coulombic Energy

  • All-molecule Intermolecular Reciprocal Space Energy

  • Image calculation for Ewald Summation

  • Minimum Image Calculation

GOMC currently supports several move-specific GPU-Accelerated kernels: