Commit 9dacbe5f authored by Steve Plimpton's avatar Steve Plimpton
Browse files

two other dirs depend on changed esph and desph

parent 5e619b65

src/USER-SDPD/fix_meso_move.cpp

+9 −9
Original line number Diff line number Diff line
@@ -46,7 +46,7 @@ FixMesoMove::FixMesoMove (LAMMPS *lmp, int narg, char **arg) : 
  xvarstr(NULL), yvarstr(NULL), zvarstr(NULL),

  vxvarstr(NULL), vyvarstr(NULL), vzvarstr(NULL),

  xoriginal(NULL), displace(NULL), velocity(NULL) {

  if ((atom->e_flag != 1) || (atom->rho_flag != 1))

  if ((atom->esph_flag != 1) || (atom->rho_flag != 1))

    error->all(FLERR,

        "fix meso/move command requires atom_style with both energy and density");
@@ -393,8 +393,8 @@ void FixMesoMove::initial_integrate (int /*vflag*/) { 
  double **vest = atom->vest;

  double *rho = atom->rho;

  double *drho = atom->drho;

  double *e = atom->e;

  double *de = atom->de;

  double *esph = atom->esph;

  double *desph = atom->desph;

  double **f = atom->f;

  double *rmass = atom->rmass;

  double *mass = atom->mass;
@@ -415,7 +415,7 @@ void FixMesoMove::initial_integrate (int /*vflag*/) { 
        xold[1] = x[i][1];

        xold[2] = x[i][2];



        e[i] += dtf * de[i]; // half-step update of particle internal energy

        esph[i] += dtf * desph[i]; // half-step update of particle internal energy

        rho[i] += dtf * drho[i]; // ... and density



        if (vxflag) {
@@ -467,7 +467,7 @@ void FixMesoMove::initial_integrate (int /*vflag*/) { 
        xold[1] = x[i][1];

        xold[2] = x[i][2];



        e[i] += dtf * de[i]; // half-step update of particle internal energy

        esph[i] += dtf * desph[i]; // half-step update of particle internal energy

        rho[i] += dtf * drho[i]; // ... and density



        if (axflag) {
@@ -535,7 +535,7 @@ void FixMesoMove::initial_integrate (int /*vflag*/) { 
        xold[1] = x[i][1];

        xold[2] = x[i][2];



        e[i] += dtf * de[i]; // half-step update of particle internal energy

        esph[i] += dtf * desph[i]; // half-step update of particle internal energy

        rho[i] += dtf * drho[i]; // ... and density



        d[0] = xoriginal[i][0] - point[0];
@@ -757,8 +757,8 @@ void FixMesoMove::final_integrate () { 


  double **v = atom->v;

  double **f = atom->f;

  double *e = atom->e;

  double *de = atom->de;

  double *esph = atom->esph;

  double *desph = atom->desph;

  double *rho = atom->rho;

  double *drho = atom->drho;

  double *rmass = atom->rmass;
@@ -773,7 +773,7 @@ void FixMesoMove::final_integrate () { 


  for (int i = 0; i < nlocal; i++) {

    if (mask[i] & groupbit) {

      e[i] += dtf * de[i];

      esph[i] += dtf * desph[i];

      rho[i] += dtf * drho[i];



      if (xflag) {

src/USER-SDPD/fix_rigid_meso.cpp

+7 −7
Original line number Diff line number Diff line
@@ -43,7 +43,7 @@ FixRigidMeso::FixRigidMeso (LAMMPS *lmp, int narg, char **arg) : 
FixRigid (lmp, narg, arg) {

  scalar_flag = 0;

  size_array_cols = 28;

  if ((atom->e_flag != 1) || (atom->rho_flag != 1))

  if ((atom->esph_flag != 1) || (atom->rho_flag != 1))

    error->all (FLERR, "fix rigid/meso command requires atom_style with"

                " both energy and density");
@@ -247,8 +247,8 @@ void FixRigidMeso::set_xv () { 
  double **v = atom->v;

  double **vest = atom->vest;

  double **f = atom->f;

  double *e = atom->e;

  double *de = atom->de;

  double *esph = atom->esph;

  double *desph = atom->desph;

  double *rho = atom->rho;

  double *drho = atom->drho;

  double *rmass = atom->rmass;
@@ -272,7 +272,7 @@ void FixRigidMeso::set_xv () { 
    if (body[i] < 0) continue;



    // half-step update of particle internal energy and density

    e[i] += dtf * de[i];

    esph[i] += dtf * desph[i];

    rho[i] += dtf * drho[i];



    ibody = body[i];
@@ -377,8 +377,8 @@ void FixRigidMeso::set_v () { 
  double **x = atom->x;

  double **v = atom->v;

  double **f = atom->f;

  double *e = atom->e;

  double *de = atom->de;

  double *esph = atom->esph;

  double *desph = atom->desph;

  double *rho = atom->rho;

  double *drho = atom->drho;

  double *rmass = atom->rmass;
@@ -401,7 +401,7 @@ void FixRigidMeso::set_v () { 
    if (body[i] < 0) continue;



    // half-step update of particle internal energy and density

    e[i] += dtf * de[i];

    esph[i] += dtf * desph[i];

    rho[i] += dtf * drho[i];



    const int ibody = body[i];

src/USER-SMD/atom_vec_smd.cpp

+15 −15
Original line number Diff line number Diff line
@@ -48,7 +48,7 @@ AtomVecSMD::AtomVecSMD(LAMMPS *lmp) : AtomVec(lmp) 
  atom->contact_radius_flag = 1;

  atom->molecule_flag = 1;

  atom->smd_data_9_flag = 1;

  atom->e_flag = 1;

  atom->esph_flag = 1;

  atom->vest_flag = 1;

  atom->smd_stress_flag = 1;

  atom->eff_plastic_strain_flag = 1;
@@ -62,32 +62,32 @@ AtomVecSMD::AtomVecSMD(LAMMPS *lmp) : AtomVec(lmp) 
  // except: fields_data_atom & fields_data_vel must match data file



  fields_grow = (char *) 

    "e de vfrac rmass x0 radius contact_radius molecule "

    "esph desph vfrac rmass x0 radius contact_radius molecule "

    "smd_data_9 vest smd_stress "

    "eff_plastic_strain eff_plastic_strain_rate damage";

  fields_copy = (char *) 

    "e vfrac rmass x0 radius contact_radius molecule "

    "esph vfrac rmass x0 radius contact_radius molecule "

    "eff_plastic_strain eff_plastic_strain_rate vest "

    "smd_data_9 smd_stress damage";

  fields_comm = (char *) "radius vfrac vest e";

  fields_comm_vel = (char *) "radius vfrac vest e";

  fields_reverse = (char *) "de";

  fields_comm = (char *) "radius vfrac vest esph";

  fields_comm_vel = (char *) "radius vfrac vest esph";

  fields_reverse = (char *) "desph";

  fields_border = (char *) 

    "x0 molecule radius rmass vfrac contact_radius e "

    "x0 molecule radius rmass vfrac contact_radius esph "

    "eff_plastic_strain smd_data_9 smd_stress";

  fields_border_vel = (char *) 

    "x0 molecule radius rmass vfrac contact_radius e "

    "x0 molecule radius rmass vfrac contact_radius esph "

    "eff_plastic_strain smd_data_9 smd_stress vest";

  fields_exchange = (char *) 

    "x0 molecule radius rmass vfrac contact_radius e "

    "x0 molecule radius rmass vfrac contact_radius esph "

    "eff_plastic_strain eff_plastic_strain_rate smd_data_9 smd_stress "

    "vest damage";

  fields_restart = (char *) 

    "x0 molecule radius rmass vfrac contact_radius e "

    "x0 molecule radius rmass vfrac contact_radius esph "

    "eff_plastic_strain eff_plastic_strain_rate smd_data_9 smd_stress "

    "vest damage";

  fields_create = (char *) 

    "x0 vest vfrac rmass radius contact_radius molecule e "

    "x0 vest vfrac rmass radius contact_radius molecule esph "

    "eff_plastic_strain eff_plastic_strain_rate smd_data_9 smd_stress damage";

  fields_data_atom = (char *) 

    "id type molecule vfrac rmass radius contact_radius x0 x";
@@ -108,8 +108,8 @@ AtomVecSMD::AtomVecSMD(LAMMPS *lmp) : AtomVec(lmp) 


void AtomVecSMD::grow_pointers()

{

  e = atom->e;

  de = atom->de;

  esph = atom->esph;

  desph = atom->desph;

  vfrac = atom->vfrac;

  rmass = atom->rmass;

  x0 = atom->x0;
@@ -132,7 +132,7 @@ void AtomVecSMD::grow_pointers() 


void AtomVecSMD::force_clear(int n, size_t nbytes) 

{

  memset(&de[n],0,nbytes);

  memset(&desph[n],0,nbytes);

  memset(&f[n][0],0,3*nbytes);

}
@@ -164,7 +164,7 @@ void AtomVecSMD::create_atom_post(int ilocal) 


void AtomVecSMD::data_atom_post(int ilocal)

{

  e[ilocal] = 0.0;

  esph[ilocal] = 0.0;

  x0[ilocal][0] = x[ilocal][0];

  x0[ilocal][1] = x[ilocal][1];

  x0[ilocal][2] = x[ilocal][2];

src/USER-SMD/atom_vec_smd.h

+1 −1
Original line number Diff line number Diff line
@@ -46,7 +46,7 @@ class AtomVecSMD : public AtomVec { 


 private:

  int *molecule;

  double *e,*de,*vfrac,*rmass,*radius,*contact_radius;

  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/USER-SMD/compute_smd_internal_energy.cpp

+3 −3
Original line number Diff line number Diff line
@@ -40,7 +40,7 @@ ComputeSMDInternalEnergy::ComputeSMDInternalEnergy(LAMMPS *lmp, int narg, char * 
  Compute(lmp, narg, arg)

{

  if (narg != 3) error->all(FLERR,"Illegal compute smd/internal_energy command");

  if (atom->e_flag != 1) error->all(FLERR,"compute smd/internal_energy command requires atom_style with internal_energy (e.g. smd)");

  if (atom->esph_flag != 1) error->all(FLERR,"compute smd/internal_energy command requires atom_style with internal_energy (e.g. smd)");



  peratom_flag = 1;

  size_peratom_cols = 0;
@@ -83,13 +83,13 @@ void ComputeSMDInternalEnergy::compute_peratom() 
    vector_atom = internal_energy_vector;

  }



  double *e = atom->e;

  double *esph = atom->esph;

  int *mask = atom->mask;

  int nlocal = atom->nlocal;



    for (int i = 0; i < nlocal; i++) {

      if (mask[i] & groupbit) {

              internal_energy_vector[i] = e[i];

              internal_energy_vector[i] = esph[i];

      }

      else {

              internal_energy_vector[i] = 0.0;

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