suggestion for virial stress/atom option

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1

Hello,

Stan’s new per-atom kspace contribution isn’t included with the ‘virial’ option of stress/atom. Looks like it just needs a flag added here:

else if (strcmp(arg[iarg],“virial”) == 0) {
pairflag = 1;
bondflag = angleflag = dihedralflag = improperflag = 1;
fixflag = 1;
} else error->all(FLERR,“Illegal compute stress/atom command”);

happy stresses,
Tim

2

yes, I see the omission - will be fixed in the next patch

Thanks,
Steve