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Merge branch 'USER-DPD_internal_energy' of https://github.com/timattox/lammps_USER-DPD into corrections-and-bugfixes 

This closes #303
This commit is contained in:
Axel Kohlmeyer 2016-12-16 11:22:25 -05:00
parent 4907b29ad2 eff7238ff2
commit 830c9e8661
3 changed files with 6 additions and 6 deletions
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4
src/USER-DPD/fix_eos_cv.cpp
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@ -70,8 +70,8 @@ void FixEOScv::init()
if (mask[i] & groupbit) {
if(dpdTheta[i] <= 0.0)
error->one(FLERR,"Internal temperature <= zero");
uCond[i] = 0.5*cvEOS*dpdTheta[i];
uMech[i] = 0.5*cvEOS*dpdTheta[i];
uCond[i] = 0.0;
uMech[i] = cvEOS*dpdTheta[i];
}
}
}

4
src/USER-DPD/fix_eos_table.cpp
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@ -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;
}
}
}

4
src/USER-DPD/fix_eos_table_rx.cpp
View File

@ -202,8 +202,8 @@ void FixEOStableRX::init()
if(dpdTheta[i] <= 0.0)
error->one(FLERR,"Internal temperature <= zero");
energy_lookup(i,dpdTheta[i],tmp);
uCond[i] = tmp / 2.0;
uMech[i] = tmp / 2.0;
uCond[i] = 0.0;
uMech[i] = tmp;
uChem[i] = 0.0;
}
}