USER-DPD: fix_eos*: partition all internal energy into the uMech term only

This makes our results more closely match a vetted serial implementation.
NOTE: This does make the output different from any previous versions.
Patch by Jim Larentzos.  Applied by Tim Mattox.
This commit is contained in:
Tim Mattox
2016-12-15 17:43:04 -05:00
parent 126fb22e93
commit eff7238ff2
3 changed files with 6 additions and 6 deletions

View File

@ -122,8 +122,8 @@ void FixEOStable::init()
if(dpdTheta[i] <= 0.0)
error->one(FLERR,"Internal temperature <= zero");
energy_lookup(dpdTheta[i],tmp);
uCond[i] = tmp / 2.0;
uMech[i] = tmp / 2.0;
uCond[i] = 0.0;
uMech[i] = tmp;
}
}
}