"csrc/vscode:/vscode.git/clone" did not exist on "146b013d9572b1f901ff1661c202b10bf6b59048"
  • Mark Friedrichs's avatar
    Lee-Ping's vdw dispersion correction · 5209c1cd
    Mark Friedrichs authored
    added tests to TestCudaAmoebaVdwForce for dispersion correction using box of 216 water molecules
    AmoebaVdwForce and AmoebaMultipoleForce now throw execptions if cutoff > 0.5*(box size)
    5209c1cd
AmoebaCudaKernels.cpp 60.6 KB