diff --git a/src/USER-DPD/fix_eos_cv.cpp b/src/USER-DPD/fix_eos_cv.cpp index d280802e94..a0a8bcd1a7 100644 --- a/src/USER-DPD/fix_eos_cv.cpp +++ b/src/USER-DPD/fix_eos_cv.cpp @@ -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]; } } } diff --git a/src/USER-DPD/fix_eos_table.cpp b/src/USER-DPD/fix_eos_table.cpp index 04293c0e17..1f36bdc84b 100644 --- a/src/USER-DPD/fix_eos_table.cpp +++ b/src/USER-DPD/fix_eos_table.cpp @@ -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; } } } diff --git a/src/USER-DPD/fix_eos_table_rx.cpp b/src/USER-DPD/fix_eos_table_rx.cpp index de6162748b..527c42c1b8 100644 --- a/src/USER-DPD/fix_eos_table_rx.cpp +++ b/src/USER-DPD/fix_eos_table_rx.cpp @@ -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; } }