Commit a72f034b authored by Steve Plimpton's avatar Steve Plimpton
Browse files

Merge branch 'atomvec-custom' of github.com:lammps/lammps into atomvec-custom

parents 807b0fce 6659946d

src/USER-OMP/fix_omp.cpp

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@@ -351,7 +351,7 @@ void FixOMP::pre_force(int) 
  double *drho = atom->drho;



#if defined(_OPENMP)

#pragma omp parallel LMP_DEFAULT_NONE LMP_SHARED(f,torque,erforce,de,drho)

#pragma omp parallel LMP_DEFAULT_NONE LMP_SHARED(f,torque,erforce,desph,drho)

#endif

  {

    const int tid = get_tid();

src/USER-SMD/atom_vec_smd.h

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@@ -45,7 +45,7 @@ class AtomVecSMD : public AtomVec { 
  void data_atom_post(int);



 private:

  int *molecule;

  tagint *molecule;

  double *esph,*desph,*vfrac,*rmass,*radius,*contact_radius;

  double *eff_plastic_strain,*eff_plastic_strain_rate,*damage;

  double **x0,**smd_data_9,**smd_stress,**vest;

src/atom_vec.h

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@@ -115,7 +115,7 @@ class AtomVec : protected Pointers { 
  virtual void pack_restart_post(int) {}

  virtual void unpack_restart_init(int) {}



  virtual int size_restart_bonus() {}

  virtual int size_restart_bonus() {return 0;}

  virtual int pack_restart_bonus(int, double *) {return 0;}

  virtual int unpack_restart_bonus(int, double *) {return 0;}
@@ -149,7 +149,7 @@ class AtomVec : protected Pointers { 
  virtual void pack_property_atom(int, double *, int, int) {}



  virtual bigint memory_usage();

  virtual bigint memory_usage_bonus() {}

  virtual bigint memory_usage_bonus() {return 0;}



 protected:

  int nmax;                    // local copy of atom->nmax

src/GRANULAR/fix_pour.cpp

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src/MOLECULE/atom_vec_bond.cpp

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src/MOLECULE/atom_vec_bond.h

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src/MOLECULE/atom_vec_full.cpp

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src/PERI/atom_vec_peri.cpp

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src/USER-AWPMD/atom_vec_wavepacket.cpp

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src/atom_vec_body.cpp

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src/MOLECULE/atom_vec_angle.cpp

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src/atom_vec_line.cpp

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src/atom_vec_sphere.cpp

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src/atom_vec_tri.cpp

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src/replicate.cpp

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src/DIPOLE/atom_vec_dipole.cpp

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src/atom_vec.cpp

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src/verlet.cpp

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src/MOLECULE/atom_vec_molecular.cpp

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src/SPIN/atom_vec_spin.cpp

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src/USER-SMD/atom_vec_smd.cpp

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src/atom.cpp

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src/atom.h

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src/atom_vec_ellipsoid.cpp

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src/atom_vec_hybrid.cpp

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