GitHub PushEvent at 2014-03-23 10:58:30
Repository: gromacs
Actor: gromacs-upload
Payload: {"shas":[["5c13f5e8f699e5f1aefc37c31ea34a05344b190b","a9dc1f59aa334ab11422a01433159e7248003587@kth.se","CUDA cut-off kernels now shift exclusion energies\n\nThis is to make the GPU kernels consistent with the CPU nbnxn\nkernels, which for eeltype=cut-off modifier=potential-shift\neffectively do reaction-field with epsilon_rf=1.\nAlso implemented shifting of the Coulomb potential for the group\ncut-off scheme for non-excluded pairs only.\nThe manual now explains these details.\n\nAlso fixed the generic group kernel with an exact cutoff for\neither Coulomb or VdW. I think this was supposed to not be supported\nbut neither grompp nor mdrun checked for this. The fix is trivial.\n\nChange-Id: I48bff73587e43338162f90fa7d526e1909ce5ad1","Berk Hess",true]],"size":1,"ref":"refs/heads/master","head":"5c13f5e8f699e5f1aefc37c31ea34a05344b190b"}