Commit 830c9e86 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

Merge branch 'USER-DPD_internal_energy' of... 

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

This closes #303
parents 4907b29a eff7238f

src/USER-DPD/fix_eos_cv.cpp

+2 −2
Original line number Diff line number Diff line
@@ -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];

      }

  }

}

src/USER-DPD/fix_eos_table.cpp

+2 −2
Original line number Diff line number Diff line
@@ -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;

      }

  }

}

src/USER-DPD/fix_eos_table_rx.cpp

+2 −2
Original line number Diff line number Diff line
@@ -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;

      }

  }

CRA Git | Maintained and supported by SUSTech CRA and CCSE