Commit 5f184282 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

activate virial contribution in `fix lb/rigid/pc/sphere` by default and... 

activate virial contribution in `fix lb/rigid/pc/sphere` by default and protect virial computation with evflag
parent 66130f55

examples/USER/lb/polymer/data.polymer

100755 → 100644
+0 −0

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examples/USER/lb/polymer/in.polymer_default_gamma

100755 → 100644
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examples/USER/lb/polymer/in.polymer_setgamma

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src/USER-LB/fix_lb_rigid_pc_sphere.cpp

+172 −170
Original line number Diff line number Diff line
@@ -51,6 +51,7 @@ FixLbRigidPCSphere::FixLbRigidPCSphere(LAMMPS *lmp, int narg, char **arg) : 
  rigid_flag = 1;

  create_attribute = 1;

  virial_flag = 1;

  thermo_virial = 1;



  // perform initial allocation of atom-based arrays

  // register with Atom class
@@ -744,6 +745,7 @@ void FixLbRigidPCSphere::setup(int vflag) 
  // Set the velocities

  set_v();



  if (evflag) {

    if (vflag_global)

      for (n = 0; n < 6; n++) virial[n] *= 2.0;

    if (vflag_atom) {
@@ -751,7 +753,7 @@ void FixLbRigidPCSphere::setup(int vflag) 
        for (n = 0; n < 6; n++)

          vatom[i][n] *= 2.0;

    }



  }

}



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