diff --git a/src/BOCS/compute_pressure_bocs.cpp b/src/BOCS/compute_pressure_bocs.cpp index 16d6c91a1f..12ca17093f 100644 --- a/src/BOCS/compute_pressure_bocs.cpp +++ b/src/BOCS/compute_pressure_bocs.cpp @@ -293,7 +293,7 @@ double ComputePressureBocs::compute_scalar() { invoked_scalar = update->ntimestep; if (update->vflag_global != invoked_scalar) - error->all(FLERR,"Virial was not tallied on needed timestep"); + error->all(FLERR, Error::NOLASTLINE, "Virial was not tallied on needed timestep{}", utils::errorurl(22)); // invoke temperature if it hasn't been already @@ -354,7 +354,7 @@ void ComputePressureBocs::compute_vector() { invoked_vector = update->ntimestep; if (update->vflag_global != invoked_vector) - error->all(FLERR,"Virial was not tallied on needed timestep"); + error->all(FLERR, Error::NOLASTLINE, "Virial was not tallied on needed timestep{}", utils::errorurl(22)); if (force->kspace && kspace_virial && force->kspace->scalar_pressure_flag) error->all(FLERR,"Must use 'kspace_modify pressure/scalar no' for " diff --git a/src/DIELECTRIC/compute_efield_atom.cpp b/src/DIELECTRIC/compute_efield_atom.cpp index 5e847a2a28..78688e5c0a 100644 --- a/src/DIELECTRIC/compute_efield_atom.cpp +++ b/src/DIELECTRIC/compute_efield_atom.cpp @@ -133,7 +133,7 @@ void ComputeEfieldAtom::compute_peratom() invoked_peratom = update->ntimestep; if (update->vflag_atom != invoked_peratom) - error->all(FLERR, "Per-atom virial was not tallied on needed timestep"); + error->all(FLERR, Error::NOLASTLINE, "Per-atom virial was not tallied on needed timestep{}", utils::errorurl(22)); // grow local stress array if necessary // needs to be atom->nmax in length diff --git a/src/EXTRA-COMPUTE/compute_ti.cpp b/src/EXTRA-COMPUTE/compute_ti.cpp index d405ba86e9..187ed953ef 100644 --- a/src/EXTRA-COMPUTE/compute_ti.cpp +++ b/src/EXTRA-COMPUTE/compute_ti.cpp @@ -154,7 +154,7 @@ double ComputeTI::compute_scalar() invoked_scalar = update->ntimestep; if (update->eflag_global != invoked_scalar) - error->all(FLERR,"Energy was not tallied on needed timestep"); + error->all(FLERR, Error::NOLASTLINE, "Energy was not tallied on needed timestep{}", utils::errorurl(22)); const int nlocal = atom->nlocal; const int * const type = atom->type; diff --git a/src/REPLICA/compute_pressure_alchemy.cpp b/src/REPLICA/compute_pressure_alchemy.cpp index bad2785fb8..e91860445a 100644 --- a/src/REPLICA/compute_pressure_alchemy.cpp +++ b/src/REPLICA/compute_pressure_alchemy.cpp @@ -72,7 +72,7 @@ double ComputePressureAlchemy::compute_scalar() { invoked_scalar = update->ntimestep; if (update->vflag_global != invoked_scalar) - error->all(FLERR, "Virial was not tallied on needed timestep"); + error->all(FLERR, Error::NOLASTLINE, "Virial was not tallied on needed timestep{}", utils::errorurl(22)); compute_vector(); @@ -92,7 +92,7 @@ void ComputePressureAlchemy::compute_vector() { invoked_vector = update->ntimestep; if (update->vflag_global != invoked_vector) - error->all(FLERR, "Virial was not tallied on needed timestep"); + error->all(FLERR, Error::NOLASTLINE, "Virial was not tallied on needed timestep{}", utils::errorurl(22)); int dim = 0; double *pressure = (double *) fix->extract("pressure", dim); diff --git a/src/REPLICA/compute_pressure_grem.cpp b/src/REPLICA/compute_pressure_grem.cpp index 50790ead2e..4fbef504dc 100644 --- a/src/REPLICA/compute_pressure_grem.cpp +++ b/src/REPLICA/compute_pressure_grem.cpp @@ -66,7 +66,7 @@ double ComputePressureGrem::compute_scalar() { invoked_scalar = update->ntimestep; if (update->vflag_global != invoked_scalar) - error->all(FLERR,"Virial was not tallied on needed timestep"); + error->all(FLERR, Error::NOLASTLINE, "Virial was not tallied on needed timestep{}", utils::errorurl(22)); // invoke temperature if it hasn't been already @@ -107,7 +107,7 @@ void ComputePressureGrem::compute_vector() { invoked_vector = update->ntimestep; if (update->vflag_global != invoked_vector) - error->all(FLERR,"Virial was not tallied on needed timestep"); + error->all(FLERR, Error::NOLASTLINE, "Virial was not tallied on needed timestep{}", utils::errorurl(22)); if (force->kspace && kspace_virial && force->kspace->scalar_pressure_flag) error->all(FLERR,"Must use 'kspace_modify pressure/scalar no' for " diff --git a/src/TALLY/compute_force_tally.cpp b/src/TALLY/compute_force_tally.cpp index e2243e02a7..6b09cac785 100644 --- a/src/TALLY/compute_force_tally.cpp +++ b/src/TALLY/compute_force_tally.cpp @@ -179,7 +179,7 @@ double ComputeForceTally::compute_scalar() { invoked_scalar = update->ntimestep; if ((did_setup != invoked_scalar) || (update->eflag_global != invoked_scalar)) - error->all(FLERR, "Stress was not tallied on needed timestep"); + error->all(FLERR, Error::NOLASTLINE, "Stress was not tallied on needed timestep{}", utils::errorurl(22)); if ((comm->me == 0) && !force->pair->did_tally_callback()) error->warning(FLERR, "Stress was not tallied by pair style"); @@ -198,7 +198,7 @@ void ComputeForceTally::compute_peratom() { invoked_peratom = update->ntimestep; if ((did_setup != invoked_peratom) || (update->eflag_global != invoked_peratom)) - error->all(FLERR, "Stress was not tallied on needed timestep"); + error->all(FLERR, Error::NOLASTLINE, "Stress was not tallied on needed timestep{}", utils::errorurl(22)); if ((comm->me == 0) && !force->pair->did_tally_callback()) error->warning(FLERR, "Stress was not tallied by pair style"); diff --git a/src/TALLY/compute_heat_flux_tally.cpp b/src/TALLY/compute_heat_flux_tally.cpp index 47b9fb5681..65b66db7d0 100644 --- a/src/TALLY/compute_heat_flux_tally.cpp +++ b/src/TALLY/compute_heat_flux_tally.cpp @@ -205,7 +205,7 @@ void ComputeHeatFluxTally::compute_vector() { invoked_vector = update->ntimestep; if ((did_setup != invoked_vector) || (update->eflag_global != invoked_vector)) - error->all(FLERR, "Stress was not tallied on needed timestep"); + error->all(FLERR, Error::NOLASTLINE, "Stress was not tallied on needed timestep{}", utils::errorurl(22)); if ((comm->me == 0) && !force->pair->did_tally_callback()) error->warning(FLERR, "Stress was not tallied by pair style"); diff --git a/src/TALLY/compute_heat_flux_virial_tally.cpp b/src/TALLY/compute_heat_flux_virial_tally.cpp index 7e4b27f361..a87732c15e 100644 --- a/src/TALLY/compute_heat_flux_virial_tally.cpp +++ b/src/TALLY/compute_heat_flux_virial_tally.cpp @@ -191,7 +191,7 @@ double ComputeHeatFluxVirialTally::compute_scalar() invoked_scalar = update->ntimestep; if ((did_setup != invoked_scalar) || (update->eflag_global != invoked_scalar)) - error->all(FLERR, "Stress was not tallied on needed timestep"); + error->all(FLERR, Error::NOLASTLINE, "Stress was not tallied on needed timestep{}", utils::errorurl(22)); if ((comm->me == 0) && !force->pair->did_tally_callback()) error->warning(FLERR, "Stress was not tallied by pair style"); @@ -213,7 +213,7 @@ void ComputeHeatFluxVirialTally::compute_peratom() { invoked_peratom = update->ntimestep; if ((did_setup != invoked_peratom) || (update->eflag_global != invoked_peratom)) - error->all(FLERR, "Stress was not tallied on needed timestep"); + error->all(FLERR, Error::NOLASTLINE, "Stress was not tallied on needed timestep{}", utils::errorurl(22)); if ((comm->me == 0) && !force->pair->did_tally_callback()) error->warning(FLERR, "Stress was not tallied by pair style"); diff --git a/src/TALLY/compute_pe_mol_tally.cpp b/src/TALLY/compute_pe_mol_tally.cpp index 66e9972464..e5ddb57568 100644 --- a/src/TALLY/compute_pe_mol_tally.cpp +++ b/src/TALLY/compute_pe_mol_tally.cpp @@ -126,7 +126,7 @@ void ComputePEMolTally::compute_vector() { invoked_vector = update->ntimestep; if ((did_setup != invoked_vector) || (update->eflag_global != invoked_vector)) - error->all(FLERR, "Energy was not tallied on needed timestep"); + error->all(FLERR, Error::NOLASTLINE, "Energy was not tallied on needed timestep{}", utils::errorurl(22)); if ((comm->me == 0) && !force->pair->did_tally_callback()) error->warning(FLERR, "Energy was not tallied by pair style"); diff --git a/src/TALLY/compute_pe_tally.cpp b/src/TALLY/compute_pe_tally.cpp index c2dd133016..d77cfe2646 100644 --- a/src/TALLY/compute_pe_tally.cpp +++ b/src/TALLY/compute_pe_tally.cpp @@ -167,7 +167,7 @@ double ComputePETally::compute_scalar() { invoked_scalar = update->ntimestep; if ((did_setup != invoked_scalar) || (update->eflag_global != invoked_scalar)) - error->all(FLERR, "Energy was not tallied on needed timestep"); + error->all(FLERR, Error::NOLASTLINE, "Energy was not tallied on needed timestep{}", utils::errorurl(22)); if ((comm->me == 0) && !force->pair->did_tally_callback()) error->warning(FLERR, "Energy was not tallied by pair style"); @@ -186,7 +186,7 @@ void ComputePETally::compute_peratom() { invoked_peratom = update->ntimestep; if ((did_setup != invoked_peratom) || (update->eflag_global != invoked_peratom)) - error->all(FLERR, "Energy was not tallied on needed timestep"); + error->all(FLERR, Error::NOLASTLINE, "Energy was not tallied on needed timestep{}", utils::errorurl(22)); if ((comm->me == 0) && !force->pair->did_tally_callback()) error->warning(FLERR, "Energy was not tallied by pair style"); diff --git a/src/TALLY/compute_stress_tally.cpp b/src/TALLY/compute_stress_tally.cpp index b5b54c495c..c16e046dcf 100644 --- a/src/TALLY/compute_stress_tally.cpp +++ b/src/TALLY/compute_stress_tally.cpp @@ -202,7 +202,7 @@ double ComputeStressTally::compute_scalar() { invoked_scalar = update->ntimestep; if ((did_setup != invoked_scalar) || (update->eflag_global != invoked_scalar)) - error->all(FLERR, "Stress was not tallied on needed timestep"); + error->all(FLERR, Error::NOLASTLINE, "Stress was not tallied on needed timestep{}", utils::errorurl(22)); if ((comm->me == 0) && !force->pair->did_tally_callback()) error->warning(FLERR, "Stress was not tallied by pair style"); @@ -225,7 +225,7 @@ void ComputeStressTally::compute_peratom() { invoked_peratom = update->ntimestep; if ((did_setup != invoked_peratom) || (update->eflag_global != invoked_peratom)) - error->all(FLERR, "Stress was not tallied on needed timestep"); + error->all(FLERR, Error::NOLASTLINE, "Stress was not tallied on needed timestep{}", utils::errorurl(22)); if ((comm->me == 0) && !force->pair->did_tally_callback()) error->warning(FLERR, "Stress was not tallied by pair style"); diff --git a/src/UEF/compute_pressure_uef.cpp b/src/UEF/compute_pressure_uef.cpp index 16fe6137bf..040fe3df03 100644 --- a/src/UEF/compute_pressure_uef.cpp +++ b/src/UEF/compute_pressure_uef.cpp @@ -104,7 +104,7 @@ void ComputePressureUef::compute_vector() { invoked_vector = update->ntimestep; if (update->vflag_global != invoked_vector) - error->all(FLERR,"Virial was not tallied on needed timestep"); + error->all(FLERR, Error::NOLASTLINE, "Virial was not tallied on needed timestep{}", utils::errorurl(22)); if (force->kspace && kspace_virial && force->kspace->scalar_pressure_flag) error->all(FLERR,"Must use 'kspace_modify pressure/scalar no' for " diff --git a/src/compute_angle.cpp b/src/compute_angle.cpp index 71c13ebc7f..9fdd20513e 100644 --- a/src/compute_angle.cpp +++ b/src/compute_angle.cpp @@ -69,7 +69,7 @@ void ComputeAngle::compute_vector() { invoked_vector = update->ntimestep; if (update->eflag_global != invoked_vector) - error->all(FLERR, "Energy was not tallied on needed timestep"); + error->all(FLERR, Error::NOLASTLINE, "Energy was not tallied on needed timestep{}", utils::errorurl(22)); for (int i = 0; i < nsub; i++) emine[i] = angle->styles[i]->energy; diff --git a/src/compute_bond.cpp b/src/compute_bond.cpp index 8070c13231..a88b95d6c7 100644 --- a/src/compute_bond.cpp +++ b/src/compute_bond.cpp @@ -68,7 +68,7 @@ void ComputeBond::compute_vector() { invoked_vector = update->ntimestep; if (update->eflag_global != invoked_vector) - error->all(FLERR, "Energy was not tallied on needed timestep"); + error->all(FLERR, Error::NOLASTLINE, "Energy was not tallied on needed timestep{}", utils::errorurl(22)); for (int i = 0; i < nsub; i++) emine[i] = bond->styles[i]->energy; diff --git a/src/compute_centroid_stress_atom.cpp b/src/compute_centroid_stress_atom.cpp index c6854737a8..682e7a5e63 100644 --- a/src/compute_centroid_stress_atom.cpp +++ b/src/compute_centroid_stress_atom.cpp @@ -210,7 +210,7 @@ void ComputeCentroidStressAtom::compute_peratom() invoked_peratom = update->ntimestep; if (update->vflag_atom != invoked_peratom) - error->all(FLERR, "Per-atom virial was not tallied on needed timestep"); + error->all(FLERR, Error::NOLASTLINE, "Per-atom virial was not tallied on needed timestep{}", utils::errorurl(22)); // grow local stress array if necessary // needs to be atom->nmax in length diff --git a/src/compute_dihedral.cpp b/src/compute_dihedral.cpp index 39d5179d30..29c15e2917 100644 --- a/src/compute_dihedral.cpp +++ b/src/compute_dihedral.cpp @@ -69,7 +69,7 @@ void ComputeDihedral::compute_vector() { invoked_vector = update->ntimestep; if (update->eflag_global != invoked_vector) - error->all(FLERR, "Energy was not tallied on needed timestep"); + error->all(FLERR, Error::NOLASTLINE, "Energy was not tallied on needed timestep{}", utils::errorurl(22)); for (int i = 0; i < nsub; i++) emine[i] = dihedral->styles[i]->energy; diff --git a/src/compute_improper.cpp b/src/compute_improper.cpp index 36a38a48f8..9643a9d499 100644 --- a/src/compute_improper.cpp +++ b/src/compute_improper.cpp @@ -69,7 +69,7 @@ void ComputeImproper::compute_vector() { invoked_vector = update->ntimestep; if (update->eflag_global != invoked_vector) - error->all(FLERR, "Energy was not tallied on needed timestep"); + error->all(FLERR, Error::NOLASTLINE, "Energy was not tallied on needed timestep{}", utils::errorurl(22)); for (int i = 0; i < nsub; i++) emine[i] = improper->styles[i]->energy; diff --git a/src/compute_pair.cpp b/src/compute_pair.cpp index 1cb22a006f..2bf5ef6e83 100644 --- a/src/compute_pair.cpp +++ b/src/compute_pair.cpp @@ -113,7 +113,8 @@ double ComputePair::compute_scalar() { invoked_scalar = update->ntimestep; if (update->eflag_global != invoked_scalar) - error->all(FLERR, "Energy was not tallied on needed timestep"); + error->all(FLERR, Error::NOLASTLINE, "Energy was not tallied on needed timestep{}", + utils::errorurl(22)); double eng; if (evalue == EPAIR) @@ -133,7 +134,8 @@ void ComputePair::compute_vector() { invoked_vector = update->ntimestep; if (update->eflag_global != invoked_vector) - error->all(FLERR, "Energy was not tallied on needed timestep"); + error->all(FLERR, Error::NOLASTLINE, "Energy was not tallied on needed timestep{}", + utils::errorurl(22)); for (int i = 0; i < npair; i++) one[i] = pair->pvector[i]; MPI_Allreduce(one, vector, npair, MPI_DOUBLE, MPI_SUM, world); diff --git a/src/compute_pe.cpp b/src/compute_pe.cpp index f4207408f9..c430add751 100644 --- a/src/compute_pe.cpp +++ b/src/compute_pe.cpp @@ -85,7 +85,7 @@ double ComputePE::compute_scalar() { invoked_scalar = update->ntimestep; if (update->eflag_global != invoked_scalar) - error->all(FLERR, "Energy was not tallied on needed timestep"); + error->all(FLERR, Error::NOLASTLINE, "Energy was not tallied on needed timestep{}", utils::errorurl(22)); double one = 0.0; if (pairflag && force->pair) one += force->pair->eng_vdwl + force->pair->eng_coul; diff --git a/src/compute_pe_atom.cpp b/src/compute_pe_atom.cpp index 2e1973ceca..05f35ca9a6 100644 --- a/src/compute_pe_atom.cpp +++ b/src/compute_pe_atom.cpp @@ -94,7 +94,7 @@ void ComputePEAtom::compute_peratom() invoked_peratom = update->ntimestep; if (update->eflag_atom != invoked_peratom) - error->all(FLERR, "Per-atom energy was not tallied on needed timestep"); + error->all(FLERR, Error::NOLASTLINE, "Per-atom energy was not tallied on needed timestep{}", utils::errorurl(22)); // grow local energy array if necessary // needs to be atom->nmax in length diff --git a/src/compute_pressure.cpp b/src/compute_pressure.cpp index 65cb612390..57a884bc3e 100644 --- a/src/compute_pressure.cpp +++ b/src/compute_pressure.cpp @@ -235,7 +235,7 @@ double ComputePressure::compute_scalar() { invoked_scalar = update->ntimestep; if (update->vflag_global != invoked_scalar) - error->all(FLERR,"Virial was not tallied on needed timestep"); + error->all(FLERR, Error::NOLASTLINE, "Virial was not tallied on needed timestep{}", utils::errorurl(22)); // invoke temperature if it hasn't been already @@ -274,7 +274,7 @@ void ComputePressure::compute_vector() { invoked_vector = update->ntimestep; if (update->vflag_global != invoked_vector) - error->all(FLERR,"Virial was not tallied on needed timestep"); + error->all(FLERR, Error::NOLASTLINE, "Virial was not tallied on needed timestep{}", utils::errorurl(22)); if (force->kspace && kspace_virial && force->kspace->scalar_pressure_flag) error->all(FLERR,"Must use 'kspace_modify pressure/scalar no' for " diff --git a/src/compute_stress_atom.cpp b/src/compute_stress_atom.cpp index 3560570163..a9037ae1a8 100644 --- a/src/compute_stress_atom.cpp +++ b/src/compute_stress_atom.cpp @@ -142,7 +142,7 @@ void ComputeStressAtom::compute_peratom() invoked_peratom = update->ntimestep; if (update->vflag_atom != invoked_peratom) - error->all(FLERR, "Per-atom virial was not tallied on needed timestep"); + error->all(FLERR, Error::NOLASTLINE, "Per-atom virial was not tallied on needed timestep{}", utils::errorurl(22)); // grow local stress array if necessary // needs to be atom->nmax in length diff --git a/src/thermo.cpp b/src/thermo.cpp index c7e53f8c85..ca60b48687 100644 --- a/src/thermo.cpp +++ b/src/thermo.cpp @@ -1220,7 +1220,7 @@ void Thermo::check_temp(const std::string &keyword) void Thermo::check_pe(const std::string &keyword) { if (update->eflag_global != update->ntimestep) - error->all(FLERR, "Energy was not tallied on needed timestep"); + error->all(FLERR, Error::NOLASTLINE, "Energy was not tallied on needed timestep{}", utils::errorurl(22)); if (!pe) error->all(FLERR, "Thermo keyword {} in variable requires thermo to use/init potential energy", keyword); @@ -1419,7 +1419,8 @@ int Thermo::evaluate_keyword(const std::string &word, double *answer) } else if (word == "etail") { if (update->eflag_global != update->ntimestep) - error->all(FLERR, "Energy was not tallied on needed timestep for thermo keyword etail"); + error->all(FLERR, Error::NOLASTLINE, "Energy was not tallied on needed timestep for thermo " + "keyword etail{}", utils::errorurl(22)); compute_etail(); } else if (word == "enthalpy") {