Commit 0034d2db authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

apply the rigid body checks to some more example codes

parent 90ca0852

src/fix_heat.cpp

+5 −1
Original line number Diff line number Diff line
@@ -126,6 +126,10 @@ void FixHeat::init() 
    else error->all(FLERR,"Variable for fix heat is invalid style");

  }



  // check for rigid bodies in region (done here for performance reasons)

  if (modify->check_rigid_region_overlap(groupbit,domain->regions[iregion]))

    error->warning(FLERR,"Cannot apply fix heat to atoms in rigid bodies");



  // cannot have 0 atoms in group



  if (group->count(igroup) == 0)

src/fix_temp_berendsen.cpp

+3 −0
Original line number Diff line number Diff line
@@ -128,6 +128,9 @@ void FixTempBerendsen::init() 
    error->all(FLERR,"Temperature ID for fix temp/berendsen does not exist");

  temperature = modify->compute[icompute];



  if (modify->check_rigid_group_overlap(groupbit))

    error->warning(FLERR,"Cannot thermostat atoms in rigid bodies");



  if (temperature->tempbias) which = BIAS;

  else which = NOBIAS;

}

src/fix_temp_csld.cpp

+3 −0
Original line number Diff line number Diff line
@@ -155,6 +155,9 @@ void FixTempCSLD::init() 
    error->all(FLERR,"Temperature ID for fix temp/csld does not exist");

  temperature = modify->compute[icompute];



  if (modify->check_rigid_group_overlap(groupbit))

    error->warning(FLERR,"Cannot thermostat atoms in rigid bodies");



  if (temperature->tempbias) which = BIAS;

  else which = NOBIAS;

}

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