remove optional logflag argument from Error::message() and Error::warning()

src/GRANULAR/fix_pour.cpp

@@ -700,7 +700,7 @@ void FixPour::pre_exchange()
   int ninserted_mols = ninserted_atoms / natom;
   ninserted += ninserted_mols;
   if (ninserted_mols < nnew && me == 0)
-    error->warning(FLERR,"Less insertions than requested",0);
+    error->warning(FLERR,"Less insertions than requested");
 
   // reset global natoms,nbonds,etc
   // increment maxtag_all and maxmol_all if necessary

src/KOKKOS/bond_fene_kokkos.cpp

@@ -128,7 +128,7 @@ void BondFENEKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
   k_warning_flag.template modify<DeviceType>();
   k_warning_flag.template sync<LMPHostType>();
   if (h_warning_flag())
-    error->warning(FLERR,"FENE bond too long",0);
+    error->warning(FLERR,"FENE bond too long");
 
   k_error_flag.template modify<DeviceType>();
   k_error_flag.template sync<LMPHostType>();

src/KOKKOS/dihedral_charmm_kokkos.cpp

@@ -142,7 +142,7 @@ void DihedralCharmmKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
   k_warning_flag.template modify<DeviceType>();
   k_warning_flag.template sync<LMPHostType>();
   if (h_warning_flag())
-    error->warning(FLERR,"Dihedral problem",0);
+    error->warning(FLERR,"Dihedral problem");
 
   if (eflag_global) {
     energy += evm.emol;

src/KOKKOS/dihedral_class2_kokkos.cpp

@@ -165,7 +165,7 @@ void DihedralClass2Kokkos<DeviceType>::compute(int eflag_in, int vflag_in)
   k_warning_flag.template modify<DeviceType>();
   k_warning_flag.template sync<LMPHostType>();
   if (h_warning_flag())
-    error->warning(FLERR,"Dihedral problem",0);
+    error->warning(FLERR,"Dihedral problem");
 
   if (eflag_global) energy += ev.evdwl;
   if (vflag_global) {

src/KOKKOS/dihedral_harmonic_kokkos.cpp

@@ -128,7 +128,7 @@ void DihedralHarmonicKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
   k_warning_flag.template modify<DeviceType>();
   k_warning_flag.template sync<LMPHostType>();
   if (h_warning_flag())
-    error->warning(FLERR,"Dihedral problem",0);
+    error->warning(FLERR,"Dihedral problem");
 
   if (eflag_global) energy += ev.evdwl;
   if (vflag_global) {

src/KOKKOS/dihedral_opls_kokkos.cpp

@@ -127,7 +127,7 @@ void DihedralOPLSKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
   k_warning_flag.template modify<DeviceType>();
   k_warning_flag.template sync<LMPHostType>();
   if (h_warning_flag())
-    error->warning(FLERR,"Dihedral problem",0);
+    error->warning(FLERR,"Dihedral problem");
 
   if (eflag_global) energy += ev.evdwl;
   if (vflag_global) {

src/KOKKOS/fix_shake_kokkos.cpp

@@ -393,7 +393,7 @@ void FixShakeKokkos<DeviceType>::post_force(int vflag)
   Kokkos::deep_copy(h_error_flag,d_error_flag);
 
   if (h_error_flag() == 2)
-    error->warning(FLERR,"Shake determinant < 0.0",0);
+    error->warning(FLERR,"Shake determinant < 0.0");
   else if (h_error_flag() == 3)
     error->one(FLERR,"Shake determinant = 0.0");
 

src/KOKKOS/improper_class2_kokkos.cpp

@@ -141,7 +141,7 @@ void ImproperClass2Kokkos<DeviceType>::compute(int eflag_in, int vflag_in)
   k_warning_flag.template modify<DeviceType>();
   k_warning_flag.template sync<LMPHostType>();
   if (h_warning_flag())
-    error->warning(FLERR,"Improper problem",0);
+    error->warning(FLERR,"Improper problem");
 
   // Angle-Angle energy/force
 

src/KOKKOS/improper_harmonic_kokkos.cpp

@@ -129,7 +129,7 @@ void ImproperHarmonicKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
   k_warning_flag.template modify<DeviceType>();
   k_warning_flag.template sync<LMPHostType>();
   if (h_warning_flag())
-    error->warning(FLERR,"Dihedral problem",0);
+    error->warning(FLERR,"Dihedral problem");
 
   if (eflag_global) energy += ev.evdwl;
   if (vflag_global) {

src/MC/pair_dsmc.cpp

@@ -152,9 +152,9 @@ void PairDSMC::compute(int /*eflag*/, int /*vflag*/)
           convert_double_to_equivalent_int(num_of_collisions_double);
 
         if (num_of_collisions > number_of_A)
-          error->warning(FLERR,"Pair dsmc: num_of_collisions > number_of_A",0);
+          error->warning(FLERR,"Pair dsmc: num_of_collisions > number_of_A");
         if (num_of_collisions > number_of_B)
-          error->warning(FLERR,"Pair dsmc: num_of_collisions > number_of_B",0);
+          error->warning(FLERR,"Pair dsmc: num_of_collisions > number_of_B");
 
         // perform collisions on pairs of particles in icell
 

src/MISC/fix_deposit.cpp

@@ -593,7 +593,7 @@ void FixDeposit::pre_exchange()
   // warn if not successful b/c too many attempts
 
   if (!success && comm->me == 0)
-    error->warning(FLERR,"Particle deposition was unsuccessful",0);
+    error->warning(FLERR,"Particle deposition was unsuccessful");
 
   // reset global natoms,nbonds,etc
   // increment maxtag_all and maxmol_all if necessary

src/MISC/fix_ttm.cpp

@@ -434,7 +434,7 @@ void FixTTM::end_of_step()
     num_inner_timesteps = static_cast<int>(update->dt/inner_dt) + 1;
     inner_dt = update->dt/double(num_inner_timesteps);
     if (num_inner_timesteps > 1000000)
-      error->warning(FLERR,"Too many inner timesteps in fix ttm",0);
+      error->warning(FLERR,"Too many inner timesteps in fix ttm");
   }
 
   for (int ith_inner_timestep = 0; ith_inner_timestep < num_inner_timesteps;

src/MOLECULE/bond_fene.cpp

@@ -254,7 +254,7 @@ double BondFENE::single(int type, double rsq, int /*i*/, int /*j*/,
     char str[128];
     sprintf(str,"FENE bond too long: " BIGINT_FORMAT " %g",
             update->ntimestep,sqrt(rsq));
-    error->warning(FLERR,str,0);
+    error->warning(FLERR,str);
     if (rlogarg <= -3.0) error->one(FLERR,"Bad FENE bond");
     rlogarg = 0.1;
   }

src/MOLECULE/bond_fene_expand.cpp

@@ -92,7 +92,7 @@ void BondFENEExpand::compute(int eflag, int vflag)
       sprintf(str,"FENE bond too long: " BIGINT_FORMAT " "
               TAGINT_FORMAT " " TAGINT_FORMAT " %g",
               update->ntimestep,atom->tag[i1],atom->tag[i2],sqrt(rsq));
-      error->warning(FLERR,str,0);
+      error->warning(FLERR,str);
       if (rlogarg <= -3.0) error->one(FLERR,"Bad FENE bond");
       rlogarg = 0.1;
     }
@@ -269,7 +269,7 @@ double BondFENEExpand::single(int type, double rsq, int /*i*/, int /*j*/,
     char str[128];
     sprintf(str,"FENE bond too long: " BIGINT_FORMAT " %g",
             update->ntimestep,sqrt(rsq));
-    error->warning(FLERR,str,0);
+    error->warning(FLERR,str);
     if (rlogarg <= -3.0) error->one(FLERR,"Bad FENE bond");
     rlogarg = 0.1;
   }

src/MOLECULE/dihedral_charmm.cpp

@@ -153,7 +153,7 @@ void DihedralCharmm::compute(int eflag, int vflag)
                 TAGINT_FORMAT " " TAGINT_FORMAT,
                 me,update->ntimestep,
                 atom->tag[i1],atom->tag[i2],atom->tag[i3],atom->tag[i4]);
-        error->warning(FLERR,str,0);
+        error->warning(FLERR,str);
         fprintf(screen,"  1st atom: %d %g %g %g\n",
                 me,x[i1][0],x[i1][1],x[i1][2]);
         fprintf(screen,"  2nd atom: %d %g %g %g\n",

src/MOLECULE/dihedral_charmmfsw.cpp

@@ -156,7 +156,7 @@ void DihedralCharmmfsw::compute(int eflag, int vflag)
                 TAGINT_FORMAT " " TAGINT_FORMAT,
                 me,update->ntimestep,
                 atom->tag[i1],atom->tag[i2],atom->tag[i3],atom->tag[i4]);
-        error->warning(FLERR,str,0);
+        error->warning(FLERR,str);
         fprintf(screen,"  1st atom: %d %g %g %g\n",
                 me,x[i1][0],x[i1][1],x[i1][2]);
         fprintf(screen,"  2nd atom: %d %g %g %g\n",

src/MOLECULE/dihedral_harmonic.cpp

@@ -139,7 +139,7 @@ void DihedralHarmonic::compute(int eflag, int vflag)
                 TAGINT_FORMAT " " TAGINT_FORMAT,
                 me,update->ntimestep,
                 atom->tag[i1],atom->tag[i2],atom->tag[i3],atom->tag[i4]);
-        error->warning(FLERR,str,0);
+        error->warning(FLERR,str);
         fprintf(screen,"  1st atom: %d %g %g %g\n",
                 me,x[i1][0],x[i1][1],x[i1][2]);
         fprintf(screen,"  2nd atom: %d %g %g %g\n",

src/MOLECULE/dihedral_helix.cpp

@@ -170,7 +170,7 @@ void DihedralHelix::compute(int eflag, int vflag)
                 TAGINT_FORMAT " " TAGINT_FORMAT,
                 me,update->ntimestep,
                 atom->tag[i1],atom->tag[i2],atom->tag[i3],atom->tag[i4]);
-        error->warning(FLERR,str,0);
+        error->warning(FLERR,str);
         fprintf(screen,"  1st atom: %d %g %g %g\n",
                 me,x[i1][0],x[i1][1],x[i1][2]);
         fprintf(screen,"  2nd atom: %d %g %g %g\n",

src/MOLECULE/dihedral_multi_harmonic.cpp

@@ -162,7 +162,7 @@ void DihedralMultiHarmonic::compute(int eflag, int vflag)
                 TAGINT_FORMAT " " TAGINT_FORMAT,
                 me,update->ntimestep,
                 atom->tag[i1],atom->tag[i2],atom->tag[i3],atom->tag[i4]);
-        error->warning(FLERR,str,0);
+        error->warning(FLERR,str);
         fprintf(screen,"  1st atom: %d %g %g %g\n",
                 me,x[i1][0],x[i1][1],x[i1][2]);
         fprintf(screen,"  2nd atom: %d %g %g %g\n",

src/MOLECULE/dihedral_opls.cpp

@@ -168,7 +168,7 @@ void DihedralOPLS::compute(int eflag, int vflag)
                 TAGINT_FORMAT " " TAGINT_FORMAT,
                 me,update->ntimestep,
                 atom->tag[i1],atom->tag[i2],atom->tag[i3],atom->tag[i4]);
-        error->warning(FLERR,str,0);
+        error->warning(FLERR,str);
         fprintf(screen,"  1st atom: %d %g %g %g\n",
                 me,x[i1][0],x[i1][1],x[i1][2]);
         fprintf(screen,"  2nd atom: %d %g %g %g\n",

src/MOLECULE/improper_cvff.cpp

@@ -153,7 +153,7 @@ void ImproperCvff::compute(int eflag, int vflag)
                 TAGINT_FORMAT " " TAGINT_FORMAT,
                 me,update->ntimestep,
                 atom->tag[i1],atom->tag[i2],atom->tag[i3],atom->tag[i4]);
-        error->warning(FLERR,str,0);
+        error->warning(FLERR,str);
         fprintf(screen,"  1st atom: %d %g %g %g\n",
                 me,x[i1][0],x[i1][1],x[i1][2]);
         fprintf(screen,"  2nd atom: %d %g %g %g\n",

src/MOLECULE/improper_harmonic.cpp

@@ -127,7 +127,7 @@ void ImproperHarmonic::compute(int eflag, int vflag)
                 TAGINT_FORMAT " " TAGINT_FORMAT,
                 me,update->ntimestep,
                 atom->tag[i1],atom->tag[i2],atom->tag[i3],atom->tag[i4]);
-        error->warning(FLERR,str,0);
+        error->warning(FLERR,str);
         fprintf(screen,"  1st atom: %d %g %g %g\n",
                 me,x[i1][0],x[i1][1],x[i1][2]);
         fprintf(screen,"  2nd atom: %d %g %g %g\n",

src/MOLECULE/improper_umbrella.cpp

@@ -134,7 +134,7 @@ void ImproperUmbrella::compute(int eflag, int vflag)
                 TAGINT_FORMAT " " TAGINT_FORMAT,
                 me,update->ntimestep,
                 atom->tag[i1],atom->tag[i2],atom->tag[i3],atom->tag[i4]);
-        error->warning(FLERR,str,0);
+        error->warning(FLERR,str);
         fprintf(screen,"  1st atom: %d %g %g %g\n",
                 me,x[i1][0],x[i1][1],x[i1][2]);
         fprintf(screen,"  2nd atom: %d %g %g %g\n",

src/RIGID/fix_shake.cpp

@@ -1716,7 +1716,7 @@ void FixShake::shake(int m)
 
   double determ = b*b - 4.0*a*c;
   if (determ < 0.0) {
-    error->warning(FLERR,"Shake determinant < 0.0",0);
+    error->warning(FLERR,"Shake determinant < 0.0");
     determ = 0.0;
   }
 

src/USER-CGDNA/bond_oxdna_fene.cpp

@@ -221,7 +221,7 @@ void BondOxdnaFene::compute(int eflag, int vflag)
       sprintf(str,"FENE bond too long: " BIGINT_FORMAT " "
               TAGINT_FORMAT " " TAGINT_FORMAT " %g",
               update->ntimestep,atom->tag[a],atom->tag[b],r);
-      error->warning(FLERR,str,0);
+      error->warning(FLERR,str);
       rlogarg = 0.1;
     }
 
@@ -400,7 +400,7 @@ double BondOxdnaFene::single(int type, double rsq, int /*i*/, int /*j*/,
     char str[128];
     sprintf(str,"FENE bond too long: " BIGINT_FORMAT " %g",
             update->ntimestep,sqrt(rsq));
-    error->warning(FLERR,str,0);
+    error->warning(FLERR,str);
     rlogarg = 0.1;
   }
 

src/USER-INTEL/bond_fene_intel.cpp

@@ -187,7 +187,7 @@ void BondFENEIntel::eval(const int vflag,
         sprintf(str,"FENE bond too long: " BIGINT_FORMAT " "
                 TAGINT_FORMAT " " TAGINT_FORMAT " %g",
                 update->ntimestep,atom->tag[i1],atom->tag[i2],sqrt(rsq));
-        error->warning(FLERR,str,0);
+        error->warning(FLERR,str);
         if (rlogarg <= (flt_t)-3.0) error->one(FLERR,"Bad FENE bond");
         rlogarg = (flt_t)0.1;
       }

src/USER-INTEL/dihedral_charmm_intel.cpp

@@ -255,7 +255,7 @@ void DihedralCharmmIntel::eval(const int vflag,
                   TAGINT_FORMAT " " TAGINT_FORMAT,
                   me,tid,update->ntimestep,
                   atom->tag[i1],atom->tag[i2],atom->tag[i3],atom->tag[i4]);
-          error->warning(FLERR,str,0);
+          error->warning(FLERR,str);
           fprintf(screen,"  1st atom: %d %g %g %g\n",
                   me,x[i1].x,x[i1].y,x[i1].z);
           fprintf(screen,"  2nd atom: %d %g %g %g\n",

src/USER-INTEL/dihedral_fourier_intel.cpp

@@ -218,7 +218,7 @@ void DihedralFourierIntel::eval(const int vflag,
                   TAGINT_FORMAT " " TAGINT_FORMAT,
                   me,tid,update->ntimestep,
                   atom->tag[i1],atom->tag[i2],atom->tag[i3],atom->tag[i4]);
-          error->warning(FLERR,str,0);
+          error->warning(FLERR,str);
           fprintf(screen,"  1st atom: %d %g %g %g\n",
                   me,x[i1].x,x[i1].y,x[i1].z);
           fprintf(screen,"  2nd atom: %d %g %g %g\n",

src/USER-INTEL/dihedral_harmonic_intel.cpp

@@ -218,7 +218,7 @@ void DihedralHarmonicIntel::eval(const int vflag,
                   TAGINT_FORMAT " " TAGINT_FORMAT,
                   me,tid,update->ntimestep,
                   atom->tag[i1],atom->tag[i2],atom->tag[i3],atom->tag[i4]);
-          error->warning(FLERR,str,0);
+          error->warning(FLERR,str);
           fprintf(screen,"  1st atom: %d %g %g %g\n",
                   me,x[i1].x,x[i1].y,x[i1].z);
           fprintf(screen,"  2nd atom: %d %g %g %g\n",

src/USER-INTEL/dihedral_opls_intel.cpp

@@ -244,7 +244,7 @@ void DihedralOPLSIntel::eval(const int vflag,
                   TAGINT_FORMAT " " TAGINT_FORMAT,
                   me,tid,update->ntimestep,
                   atom->tag[i1],atom->tag[i2],atom->tag[i3],atom->tag[i4]);
-          error->warning(FLERR,str,0);
+          error->warning(FLERR,str);
           fprintf(screen,"  1st atom: %d %g %g %g\n",
                   me,x[i1].x,x[i1].y,x[i1].z);
           fprintf(screen,"  2nd atom: %d %g %g %g\n",

src/USER-INTEL/improper_cvff_intel.cpp

@@ -240,7 +240,7 @@ void ImproperCvffIntel::eval(const int vflag,
                   TAGINT_FORMAT " " TAGINT_FORMAT,
                   me,update->ntimestep,
                   atom->tag[i1],atom->tag[i2],atom->tag[i3],atom->tag[i4]);
-          error->warning(FLERR,str,0);
+          error->warning(FLERR,str);
           fprintf(screen,"  1st atom: %d %g %g %g\n",
                   me,x[i1].x,x[i1].y,x[i1].z);
           fprintf(screen,"  2nd atom: %d %g %g %g\n",

src/USER-INTEL/improper_harmonic_intel.cpp

@@ -232,7 +232,7 @@ void ImproperHarmonicIntel::eval(const int vflag,
                   TAGINT_FORMAT " " TAGINT_FORMAT,
                   me,update->ntimestep,
                   atom->tag[i1],atom->tag[i2],atom->tag[i3],atom->tag[i4]);
-          error->warning(FLERR,str,0);
+          error->warning(FLERR,str);
           fprintf(screen,"  1st atom: %d %g %g %g\n",
                   me,x[i1].x,x[i1].y,x[i1].z);
           fprintf(screen,"  2nd atom: %d %g %g %g\n",

src/USER-MISC/compute_cnp_atom.cpp

@@ -206,7 +206,7 @@ void ComputeCNPAtom::compute_peratom()
   if (nerrorall && comm->me == 0) {
     char str[128];
     sprintf(str,"Too many neighbors in CNP for %d atoms",nerrorall);
-    error->warning(FLERR,str,0);
+    error->warning(FLERR,str);
   }
 
   // compute CNP value for each atom in group

src/USER-MISC/dihedral_cosine_shift_exp.cpp

@@ -143,7 +143,7 @@ void DihedralCosineShiftExp::compute(int eflag, int vflag)
                 TAGINT_FORMAT " " TAGINT_FORMAT,
                 me,update->ntimestep,
                 atom->tag[i1],atom->tag[i2],atom->tag[i3],atom->tag[i4]);
-        error->warning(FLERR,str,0);
+        error->warning(FLERR,str);
         fprintf(screen,"  1st atom: %d %g %g %g\n",
                 me,x[i1][0],x[i1][1],x[i1][2]);
         fprintf(screen,"  2nd atom: %d %g %g %g\n",

src/USER-MISC/dihedral_fourier.cpp

@@ -148,7 +148,7 @@ void DihedralFourier::compute(int eflag, int vflag)
                 TAGINT_FORMAT " " TAGINT_FORMAT,
                 me,update->ntimestep,
                 atom->tag[i1],atom->tag[i2],atom->tag[i3],atom->tag[i4]);
-        error->warning(FLERR,str,0);
+        error->warning(FLERR,str);
         fprintf(screen,"  1st atom: %d %g %g %g\n",
                 me,x[i1][0],x[i1][1],x[i1][2]);
         fprintf(screen,"  2nd atom: %d %g %g %g\n",

src/USER-MISC/dihedral_nharmonic.cpp

@@ -163,7 +163,7 @@ void DihedralNHarmonic::compute(int eflag, int vflag)
                 TAGINT_FORMAT " " TAGINT_FORMAT,
                 me,update->ntimestep,
                 atom->tag[i1],atom->tag[i2],atom->tag[i3],atom->tag[i4]);
-        error->warning(FLERR,str,0);
+        error->warning(FLERR,str);
         fprintf(screen,"  1st atom: %d %g %g %g\n",
                 me,x[i1][0],x[i1][1],x[i1][2]);
         fprintf(screen,"  2nd atom: %d %g %g %g\n",

src/USER-MISC/dihedral_quadratic.cpp

@@ -169,7 +169,7 @@ void DihedralQuadratic::compute(int eflag, int vflag)
                 TAGINT_FORMAT " " TAGINT_FORMAT,
                 me,update->ntimestep,
                 atom->tag[i1],atom->tag[i2],atom->tag[i3],atom->tag[i4]);
-        error->warning(FLERR,str,0);
+        error->warning(FLERR,str);
         fprintf(screen,"  1st atom: %d %g %g %g\n",
                 me,x[i1][0],x[i1][1],x[i1][2]);
         fprintf(screen,"  2nd atom: %d %g %g %g\n",

src/USER-MISC/dihedral_table_cut.cpp

@@ -264,7 +264,7 @@ void DihedralTableCut::compute(int eflag, int vflag)
                 TAGINT_FORMAT " " TAGINT_FORMAT,
                 me,update->ntimestep,
                 atom->tag[i1],atom->tag[i2],atom->tag[i3],atom->tag[i4]);
-        error->warning(FLERR,str,0);
+        error->warning(FLERR,str);
         fprintf(screen,"  1st atom: %d %g %g %g\n",
                 me,x[i1][0],x[i1][1],x[i1][2]);
         fprintf(screen,"  2nd atom: %d %g %g %g\n",

src/USER-MISC/fix_ttm_mod.cpp

@@ -719,7 +719,7 @@ void FixTTMMod::end_of_step()
     num_inner_timesteps = static_cast<unsigned int>(update->dt/inner_dt) + 1;
     inner_dt = update->dt/double(num_inner_timesteps);
     if (num_inner_timesteps > 1000000)
-      error->warning(FLERR,"Too many inner timesteps in fix ttm/mod",0);
+      error->warning(FLERR,"Too many inner timesteps in fix ttm/mod");
     for (int ith_inner_timestep = 0; ith_inner_timestep < num_inner_timesteps;
          ith_inner_timestep++) {
       for (int ixnode = 0; ixnode < nxnodes; ixnode++)

src/USER-MISC/improper_cossq.cpp

@@ -109,7 +109,7 @@ void ImproperCossq::compute(int eflag, int vflag)
                 TAGINT_FORMAT " " TAGINT_FORMAT,
                 me,update->ntimestep,
                 atom->tag[i1],atom->tag[i2],atom->tag[i3],atom->tag[i4]);
-        error->warning(FLERR,str,0);
+        error->warning(FLERR,str);
         fprintf(screen,"  1st atom: %d %g %g %g\n",me,x[i1][0],x[i1][1],x[i1][2]);
         fprintf(screen,"  2nd atom: %d %g %g %g\n",me,x[i2][0],x[i2][1],x[i2][2]);
         fprintf(screen,"  3rd atom: %d %g %g %g\n",me,x[i3][0],x[i3][1],x[i3][2]);

src/USER-MISC/improper_fourier.cpp

@@ -159,7 +159,7 @@ void ImproperFourier::addone(const int &i1,const int &i2,const int &i3,const int
               TAGINT_FORMAT " " TAGINT_FORMAT,
               me,update->ntimestep,
               atom->tag[i1],atom->tag[i2],atom->tag[i3],atom->tag[i4]);
-      error->warning(FLERR,str,0);
+      error->warning(FLERR,str);
       fprintf(screen,"  1st atom: %d %g %g %g\n",
               me,x[i1][0],x[i1][1],x[i1][2]);
       fprintf(screen,"  2nd atom: %d %g %g %g\n",

src/USER-OMP/bond_fene_expand_omp.cpp

@@ -119,7 +119,7 @@ void BondFENEExpandOMP::eval(int nfrom, int nto, ThrData * const thr)
       sprintf(str,"FENE bond too long: " BIGINT_FORMAT " "
               TAGINT_FORMAT " " TAGINT_FORMAT " %g",
               update->ntimestep,atom->tag[i1],atom->tag[i2],sqrt(rsq));
-      error->warning(FLERR,str,0);
+      error->warning(FLERR,str);
 
       if (check_error_thr((rlogarg <= -3.0),tid,FLERR,"Bad FENE bond"))
         return;

src/USER-OMP/bond_fene_omp.cpp

@@ -115,7 +115,7 @@ void BondFENEOMP::eval(int nfrom, int nto, ThrData * const thr)
       sprintf(str,"FENE bond too long: " BIGINT_FORMAT " "
               TAGINT_FORMAT " " TAGINT_FORMAT " %g",
               update->ntimestep,atom->tag[i1],atom->tag[i2],sqrt(rsq));
-      error->warning(FLERR,str,0);
+      error->warning(FLERR,str);
 
       if (check_error_thr((rlogarg <= -3.0),tid,FLERR,"Bad FENE bond"))
         return;

src/USER-OMP/dihedral_charmm_omp.cpp

@@ -175,7 +175,7 @@ void DihedralCharmmOMP::eval(int nfrom, int nto, ThrData * const thr)
                 TAGINT_FORMAT " " TAGINT_FORMAT,
                 me,thr->get_tid(),update->ntimestep,
                 atom->tag[i1],atom->tag[i2],atom->tag[i3],atom->tag[i4]);
-        error->warning(FLERR,str,0);
+        error->warning(FLERR,str);
         fprintf(screen,"  1st atom: %d %g %g %g\n",
                 me,x[i1].x,x[i1].y,x[i1].z);
         fprintf(screen,"  2nd atom: %d %g %g %g\n",

src/USER-OMP/dihedral_cosine_shift_exp_omp.cpp

@@ -164,7 +164,7 @@ void DihedralCosineShiftExpOMP::eval(int nfrom, int nto, ThrData * const thr)
                 TAGINT_FORMAT " " TAGINT_FORMAT,
                 me,thr->get_tid(),update->ntimestep,
                 atom->tag[i1],atom->tag[i2],atom->tag[i3],atom->tag[i4]);
-        error->warning(FLERR,str,0);
+        error->warning(FLERR,str);
         fprintf(screen,"  1st atom: %d %g %g %g\n",
                 me,x[i1].x,x[i1].y,x[i1].z);
         fprintf(screen,"  2nd atom: %d %g %g %g\n",

src/USER-OMP/dihedral_fourier_omp.cpp

@@ -159,7 +159,7 @@ void DihedralFourierOMP::eval(int nfrom, int nto, ThrData * const thr)
                 TAGINT_FORMAT " " TAGINT_FORMAT,
                 me,thr->get_tid(),update->ntimestep,
                 atom->tag[i1],atom->tag[i2],atom->tag[i3],atom->tag[i4]);
-        error->warning(FLERR,str,0);
+        error->warning(FLERR,str);
         fprintf(screen,"  1st atom: %d %g %g %g\n",
                 me,x[i1].x,x[i1].y,x[i1].z);
         fprintf(screen,"  2nd atom: %d %g %g %g\n",

src/USER-OMP/dihedral_harmonic_omp.cpp

@@ -163,7 +163,7 @@ void DihedralHarmonicOMP::eval(int nfrom, int nto, ThrData * const thr)
                 TAGINT_FORMAT " " TAGINT_FORMAT,
                 me,thr->get_tid(),update->ntimestep,
                 atom->tag[i1],atom->tag[i2],atom->tag[i3],atom->tag[i4]);
-        error->warning(FLERR,str,0);
+        error->warning(FLERR,str);
         fprintf(screen,"  1st atom: %d %g %g %g\n",
                 me,x[i1].x,x[i1].y,x[i1].z);
         fprintf(screen,"  2nd atom: %d %g %g %g\n",

src/USER-OMP/dihedral_helix_omp.cpp

@@ -195,7 +195,7 @@ void DihedralHelixOMP::eval(int nfrom, int nto, ThrData * const thr)
                 TAGINT_FORMAT " " TAGINT_FORMAT,
                 me,thr->get_tid(),update->ntimestep,
                 atom->tag[i1],atom->tag[i2],atom->tag[i3],atom->tag[i4]);
-        error->warning(FLERR,str,0);
+        error->warning(FLERR,str);
         fprintf(screen,"  1st atom: %d %g %g %g\n",
                 me,x[i1].x,x[i1].y,x[i1].z);
         fprintf(screen,"  2nd atom: %d %g %g %g\n",

src/USER-OMP/dihedral_multi_harmonic_omp.cpp

@@ -185,7 +185,7 @@ void DihedralMultiHarmonicOMP::eval(int nfrom, int nto, ThrData * const thr)
                 TAGINT_FORMAT " " TAGINT_FORMAT,
                 me,thr->get_tid(),update->ntimestep,
                 atom->tag[i1],atom->tag[i2],atom->tag[i3],atom->tag[i4]);
-        error->warning(FLERR,str,0);
+        error->warning(FLERR,str);
         fprintf(screen,"  1st atom: %d %g %g %g\n",
                 me,x[i1].x,x[i1].y,x[i1].z);
         fprintf(screen,"  2nd atom: %d %g %g %g\n",

src/USER-OMP/dihedral_nharmonic_omp.cpp

@@ -185,7 +185,7 @@ void DihedralNHarmonicOMP::eval(int nfrom, int nto, ThrData * const thr)
                 TAGINT_FORMAT " " TAGINT_FORMAT,
                 me,thr->get_tid(),update->ntimestep,
                 atom->tag[i1],atom->tag[i2],atom->tag[i3],atom->tag[i4]);
-        error->warning(FLERR,str,0);
+        error->warning(FLERR,str);
         fprintf(screen,"  1st atom: %d %g %g %g\n",
                 me,x[i1].x,x[i1].y,x[i1].z);
         fprintf(screen,"  2nd atom: %d %g %g %g\n",

src/USER-OMP/dihedral_opls_omp.cpp

@@ -193,7 +193,7 @@ void DihedralOPLSOMP::eval(int nfrom, int nto, ThrData * const thr)
                 TAGINT_FORMAT " " TAGINT_FORMAT,
                 me,thr->get_tid(),update->ntimestep,
                 atom->tag[i1],atom->tag[i2],atom->tag[i3],atom->tag[i4]);
-        error->warning(FLERR,str,0);
+        error->warning(FLERR,str);
         fprintf(screen,"  1st atom: %d %g %g %g\n",
                 me,x[i1].x,x[i1].y,x[i1].z);
         fprintf(screen,"  2nd atom: %d %g %g %g\n",

src/USER-OMP/dihedral_quadratic_omp.cpp

@@ -194,7 +194,7 @@ void DihedralQuadraticOMP::eval(int nfrom, int nto, ThrData * const thr)
                 TAGINT_FORMAT " " TAGINT_FORMAT,
                 me,thr->get_tid(),update->ntimestep,
                 atom->tag[i1],atom->tag[i2],atom->tag[i3],atom->tag[i4]);
-        error->warning(FLERR,str,0);
+        error->warning(FLERR,str);
         fprintf(screen,"  1st atom: %d %g %g %g\n",
                 me,x[i1].x,x[i1].y,x[i1].z);
         fprintf(screen,"  2nd atom: %d %g %g %g\n",

src/USER-OMP/improper_class2_omp.cpp

@@ -173,7 +173,7 @@ void ImproperClass2OMP::eval(int nfrom, int nto, ThrData * const thr)
                   TAGINT_FORMAT " " TAGINT_FORMAT,
                   me, thr->get_tid(),update->ntimestep,
                   atom->tag[i1],atom->tag[i2],atom->tag[i3],atom->tag[i4]);
-          error->warning(FLERR,str,0);
+          error->warning(FLERR,str);
           fprintf(screen,"  1st atom: %d %g %g %g\n",
                   me,x[i1].x,x[i1].y,x[i1].z);
           fprintf(screen,"  2nd atom: %d %g %g %g\n",

src/USER-OMP/improper_cossq_omp.cpp

@@ -135,7 +135,7 @@ void ImproperCossqOMP::eval(int nfrom, int nto, ThrData * const thr)
                 TAGINT_FORMAT " " TAGINT_FORMAT,
                 me,thr->get_tid(),update->ntimestep,
                 atom->tag[i1],atom->tag[i2],atom->tag[i3],atom->tag[i4]);
-        error->warning(FLERR,str,0);
+        error->warning(FLERR,str);
         fprintf(screen,"  1st atom: %d %g %g %g\n",
                 me,x[i1].x,x[i1].y,x[i1].z);
         fprintf(screen,"  2nd atom: %d %g %g %g\n",

src/USER-OMP/improper_cvff_omp.cpp

@@ -183,7 +183,7 @@ void ImproperCvffOMP::eval(int nfrom, int nto, ThrData * const thr)
                 me,thr->get_tid(),update->ntimestep,
                 atom->tag[i1],atom->tag[i2],atom->tag[i3],atom->tag[i4]);
 
-        error->warning(FLERR,str,0);
+        error->warning(FLERR,str);
         fprintf(screen,"  1st atom: %d %g %g %g\n",
                 me,x[i1].x,x[i1].y,x[i1].z);
         fprintf(screen,"  2nd atom: %d %g %g %g\n",

src/USER-OMP/improper_fourier_omp.cpp

@@ -194,7 +194,7 @@ void ImproperFourierOMP::add1_thr(const int i1,const int i2,
                 TAGINT_FORMAT " " TAGINT_FORMAT,
               me,thr->get_tid(),update->ntimestep,
               atom->tag[i1],atom->tag[i2],atom->tag[i3],atom->tag[i4]);
-      error->warning(FLERR,str,0);
+      error->warning(FLERR,str);
       fprintf(screen,"  1st atom: %d %g %g %g\n",
               me,atom->x[i1][0],atom->x[i1][1],atom->x[i1][2]);
       fprintf(screen,"  2nd atom: %d %g %g %g\n",

src/USER-OMP/improper_harmonic_omp.cpp

@@ -155,7 +155,7 @@ void ImproperHarmonicOMP::eval(int nfrom, int nto, ThrData * const thr)
                 TAGINT_FORMAT " " TAGINT_FORMAT,
                 me,thr->get_tid(),update->ntimestep,
                 atom->tag[i1],atom->tag[i2],atom->tag[i3],atom->tag[i4]);
-        error->warning(FLERR,str,0);
+        error->warning(FLERR,str);
         fprintf(screen,"  1st atom: %d %g %g %g\n",
                 me,x[i1].x,x[i1].y,x[i1].z);
         fprintf(screen,"  2nd atom: %d %g %g %g\n",

src/USER-OMP/improper_umbrella_omp.cpp

@@ -157,7 +157,7 @@ void ImproperUmbrellaOMP::eval(int nfrom, int nto, ThrData * const thr)
                 TAGINT_FORMAT " " TAGINT_FORMAT,
                 me,thr->get_tid(),update->ntimestep,
                 atom->tag[i1],atom->tag[i2],atom->tag[i3],atom->tag[i4]);
-        error->warning(FLERR,str,0);
+        error->warning(FLERR,str);
         fprintf(screen,"  1st atom: %d %g %g %g\n",
                 me,x[i1].x,x[i1].y,x[i1].z);
         fprintf(screen,"  2nd atom: %d %g %g %g\n",

src/compute_cna_atom.cpp

@@ -187,7 +187,7 @@ void ComputeCNAAtom::compute_peratom()
   MPI_Allreduce(&nerror,&nerrorall,1,MPI_INT,MPI_SUM,world);
   if (nerrorall && comm->me == 0)
     error->warning(FLERR,fmt::format("Too many neighbors in CNA for {} "
-                                     "atoms",nerrorall),0);
+                                     "atoms",nerrorall));
 
   // compute CNA for each atom in group
   // only performed if # of nearest neighbors = 12 or 14 (fcc,hcp)

src/error.cpp

@@ -118,6 +118,7 @@ void Error::universe_one(const std::string &file, int line, const std::string &s
 
 void Error::universe_warn(const std::string &file, int line, const std::string &str)
 {
+  if ((allwarn > maxwarn) || (maxwarn < 0)) return;
   ++numwarn;
   if (universe->uscreen)
     fmt::print(universe->uscreen,"WARNING on proc {}: {} ({}:{})\n",
@@ -247,14 +248,14 @@ void Error::_one(const std::string &file, int line, fmt::string_view format,
    only write to screen if non-nullptr on this proc since could be file
 ------------------------------------------------------------------------- */
 
-void Error::warning(const std::string &file, int line, const std::string &str, int logflag)
+void Error::warning(const std::string &file, int line, const std::string &str)
 {
   if ((allwarn > maxwarn) || (maxwarn < 0)) return;
   ++numwarn;
   std::string mesg = fmt::format("WARNING: {} ({}:{})\n",
                                  str,truncpath(file),line);
   if (screen) fputs(mesg.c_str(),screen);
-  if (logflag && logfile) fputs(mesg.c_str(),logfile);
+  if (logfile) fputs(mesg.c_str(),logfile);
 }
 
 /* ----------------------------------------------------------------------
@@ -262,12 +263,12 @@ void Error::warning(const std::string &file, int line, const std::string &str, i
    write message to screen and logfile (if logflag is set)
 ------------------------------------------------------------------------- */
 
-void Error::message(const std::string &file, int line, const std::string &str, int logflag)
+void Error::message(const std::string &file, int line, const std::string &str)
 {
   std::string mesg = fmt::format("{} ({}:{})\n",str,truncpath(file),line);
 
   if (screen) fputs(mesg.c_str(),screen);
-  if (logflag && logfile) fputs(mesg.c_str(),logfile);
+  if (logfile) fputs(mesg.c_str(),logfile);
 }
 
 /* ----------------------------------------------------------------------

src/error.h

@@ -43,8 +43,8 @@ class Error : protected Pointers {
     _one(file, line, format, fmt::make_args_checked<Args...>(format, args...));
   }
 
-  void warning(const std::string &, int, const std::string &, int = 1);
+  void warning(const std::string &, int, const std::string &);
-  void message(const std::string &, int, const std::string &, int = 1);
+  void message(const std::string &, int, const std::string &);
   [[ noreturn ]] void done(int = 0); // 1 would be fully backwards compatible
 
   int get_numwarn() const { return numwarn; }

src/thermo.cpp

@@ -420,7 +420,7 @@ bigint Thermo::lost_check()
     warnbefore = 1;
     error->warning(FLERR,fmt::format("Too many warnings: {} vs {}. All "
                                      "future warnings will be suppressed.\n",
-                                     ntotal[1],maxwarn),0);
+                                     ntotal[1],maxwarn));
   }
   error->set_allwarn(ntotal[1]);
 
@@ -443,7 +443,7 @@ bigint Thermo::lost_check()
 
   if (me == 0)
     error->warning(FLERR,fmt::format("Lost atoms: original {} current {}",
-                                     atom->natoms,ntotal[0]),0);
+                                     atom->natoms,ntotal[0]));
 
   // reset total atom count