Unverified Commit d874e8a2 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

remove TAGINT_FORMAT from ntopo styles

parent 0ee13939

src/ntopo_angle_all.cpp

+9 −15
Original line number Diff line number Diff line
@@ -21,6 +21,7 @@ 
#include "thermo.h"

#include "memory.h"

#include "error.h"

#include "fmt/format.h"



using namespace LAMMPS_NS;
@@ -58,15 +59,11 @@ void NTopoAngleAll::build() 
      atom3 = atom->map(angle_atom3[i][m]);

      if (atom1 == -1 || atom2 == -1 || atom3 == -1) {

        nmissing++;

        if (lostbond == Thermo::ERROR) {

          char str[128];

          sprintf(str,"Angle atoms "

                  TAGINT_FORMAT " " TAGINT_FORMAT " " TAGINT_FORMAT

                  " missing on proc %d at step " BIGINT_FORMAT,

                  angle_atom1[i][m],angle_atom2[i][m],angle_atom3[i][m],

                  me,update->ntimestep);

          error->one(FLERR,str);

        }

        if (lostbond == Thermo::ERROR)

          error->one(FLERR,fmt::format("Angle atoms {} {} {} missing on "

                                       "proc {} at step {}",angle_atom1[i][m],

                                       angle_atom2[i][m],angle_atom3[i][m],

                                       me,update->ntimestep));

        continue;

      }

      atom1 = domain->closest_image(i,atom1);
@@ -90,10 +87,7 @@ void NTopoAngleAll::build() 


  int all;

  MPI_Allreduce(&nmissing,&all,1,MPI_INT,MPI_SUM,world);

  if (all) {

    char str[128];

    sprintf(str,

            "Angle atoms missing at step " BIGINT_FORMAT,update->ntimestep);

    if (me == 0) error->warning(FLERR,str);

  }

  if (all && (me == 0))

    error->warning(FLERR,fmt::format("Angle atoms missing at step {}",

                                     update->ntimestep));

}

src/ntopo_angle_partial.cpp

+9 −15
Original line number Diff line number Diff line
@@ -21,6 +21,7 @@ 
#include "thermo.h"

#include "memory.h"

#include "error.h"

#include "fmt/format.h"



using namespace LAMMPS_NS;
@@ -59,15 +60,11 @@ void NTopoAnglePartial::build() 
      atom3 = atom->map(angle_atom3[i][m]);

      if (atom1 == -1 || atom2 == -1 || atom3 == -1) {

        nmissing++;

        if (lostbond == Thermo::ERROR) {

          char str[128];

          sprintf(str,"Angle atoms "

                  TAGINT_FORMAT " " TAGINT_FORMAT " " TAGINT_FORMAT

                  " missing on proc %d at step " BIGINT_FORMAT,

                  angle_atom1[i][m],angle_atom2[i][m],angle_atom3[i][m],

                  me,update->ntimestep);

          error->one(FLERR,str);

        }

        if (lostbond == Thermo::ERROR)

          error->one(FLERR,fmt::format("Angle atoms {} {} {} missing on "

                                       "proc {} at step {}",angle_atom1[i][m],

                                       angle_atom2[i][m],angle_atom3[i][m],

                                       me,update->ntimestep));

        continue;

      }

      atom1 = domain->closest_image(i,atom1);
@@ -91,10 +88,7 @@ void NTopoAnglePartial::build() 


  int all;

  MPI_Allreduce(&nmissing,&all,1,MPI_INT,MPI_SUM,world);

  if (all) {

    char str[128];

    sprintf(str,

            "Angle atoms missing at step " BIGINT_FORMAT,update->ntimestep);

    if (me == 0) error->warning(FLERR,str);

  }

  if (all && (me == 0))

    error->warning(FLERR,fmt::format("Angle atoms missing at step {}",

                                     update->ntimestep));

}

src/ntopo_angle_template.cpp

+11 −16
Original line number Diff line number Diff line
@@ -23,6 +23,7 @@ 
#include "molecule.h"

#include "memory.h"

#include "error.h"

#include "fmt/format.h"



using namespace LAMMPS_NS;
@@ -76,16 +77,13 @@ void NTopoAngleTemplate::build() 
      atom3 = atom->map(angle_atom3[iatom][m]+tagprev);

      if (atom1 == -1 || atom2 == -1 || atom3 == -1) {

        nmissing++;

        if (lostbond == Thermo::ERROR) {

          char str[128];

          sprintf(str,"Angle atoms "

                  TAGINT_FORMAT " " TAGINT_FORMAT " " TAGINT_FORMAT

                  " missing on proc %d at step " BIGINT_FORMAT,

                  angle_atom1[iatom][m]+tagprev,angle_atom2[iatom][m]+tagprev,

        if (lostbond == Thermo::ERROR)

          error->one(FLERR,fmt::format("Angle atoms {} {} {} missing on "

                                       "proc {} at step {}",

                                       angle_atom1[iatom][m]+tagprev,

                                       angle_atom2[iatom][m]+tagprev,

                                       angle_atom3[iatom][m]+tagprev,

                  me,update->ntimestep);

          error->one(FLERR,str);

        }

                                       me,update->ntimestep));

        continue;

      }

      atom1 = domain->closest_image(i,atom1);
@@ -110,10 +108,7 @@ void NTopoAngleTemplate::build() 


  int all;

  MPI_Allreduce(&nmissing,&all,1,MPI_INT,MPI_SUM,world);

  if (all) {

    char str[128];

    sprintf(str,

            "Angle atoms missing at step " BIGINT_FORMAT,update->ntimestep);

    if (me == 0) error->warning(FLERR,str);

  }

  if (all && (me == 0))

    error->warning(FLERR,fmt::format("Angle atoms missing at step {}",

                                     update->ntimestep));

}

src/ntopo_bond_all.cpp

+8 −13
Original line number Diff line number Diff line
@@ -21,6 +21,7 @@ 
#include "thermo.h"

#include "memory.h"

#include "error.h"

#include "fmt/format.h"



using namespace LAMMPS_NS;
@@ -55,13 +56,10 @@ void NTopoBondAll::build() 
      atom1 = atom->map(bond_atom[i][m]);

      if (atom1 == -1) {

        nmissing++;

        if (lostbond == Thermo::ERROR) {

          char str[128];

          sprintf(str,"Bond atoms " TAGINT_FORMAT " " TAGINT_FORMAT

                  " missing on proc %d at step " BIGINT_FORMAT,

                  tag[i],bond_atom[i][m],me,update->ntimestep);

          error->one(FLERR,str);

        }

        if (lostbond == Thermo::ERROR)

          error->one(FLERR,fmt::format("Bond atoms {} {} missing on "

                                       "proc {} at step {}",tag[i],

                                       bond_atom[i][m],me,update->ntimestep));

        continue;

      }

      atom1 = domain->closest_image(i,atom1);
@@ -82,10 +80,7 @@ void NTopoBondAll::build() 


  int all;

  MPI_Allreduce(&nmissing,&all,1,MPI_INT,MPI_SUM,world);

  if (all) {

    char str[128];

    sprintf(str,

            "Bond atoms missing at step " BIGINT_FORMAT,update->ntimestep);

    if (me == 0) error->warning(FLERR,str);

  }

  if (all && (me == 0))

    error->warning(FLERR,fmt::format("Bond atoms missing at step {}",

                                     update->ntimestep));

}

src/ntopo_bond_partial.cpp

+8 −13
Original line number Diff line number Diff line
@@ -21,6 +21,7 @@ 
#include "thermo.h"

#include "memory.h"

#include "error.h"

#include "fmt/format.h"



using namespace LAMMPS_NS;
@@ -56,13 +57,10 @@ void NTopoBondPartial::build() 
      atom1 = atom->map(bond_atom[i][m]);

      if (atom1 == -1) {

        nmissing++;

        if (lostbond == Thermo::ERROR) {

          char str[128];

          sprintf(str,"Bond atoms " TAGINT_FORMAT " " TAGINT_FORMAT

                  " missing on proc %d at step " BIGINT_FORMAT,

                  tag[i],bond_atom[i][m],me,update->ntimestep);

          error->one(FLERR,str);

        }

        if (lostbond == Thermo::ERROR)

          error->one(FLERR,fmt::format("Bond atoms {} {} missing on "

                                       "proc {} at step {}",tag[i],

                                       bond_atom[i][m],me,update->ntimestep));

        continue;

      }

      atom1 = domain->closest_image(i,atom1);
@@ -83,10 +81,7 @@ void NTopoBondPartial::build() 


  int all;

  MPI_Allreduce(&nmissing,&all,1,MPI_INT,MPI_SUM,world);

  if (all) {

    char str[128];

    sprintf(str,

            "Bond atoms missing at step " BIGINT_FORMAT,update->ntimestep);

    if (me == 0) error->warning(FLERR,str);

  }

  if (all && (me == 0))

    error->warning(FLERR,fmt::format("Bond atoms missing at step {}",

                                     update->ntimestep));

}

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