diff --git a/src/BODY/body_nparticle.cpp b/src/BODY/body_nparticle.cpp index a41823bb7e..57d963cf59 100644 --- a/src/BODY/body_nparticle.cpp +++ b/src/BODY/body_nparticle.cpp @@ -97,10 +97,10 @@ void BodyNparticle::data_body(int ibonus, int ninteger, int ndouble, // error in data file if any values are NULL for (int i = 0; i < ninteger; i++) - if (ifile[0] == NULL) + if (ifile[i] == NULL) error->one(FLERR,"Invalid format in Bodies section of data file"); for (int i = 0; i < ndouble; i++) - if (dfile[0] == NULL) + if (dfile[i] == NULL) error->one(FLERR,"Invalid format in Bodies section of data file"); // set ninteger, ndouble in bonus and allocate 2 vectors of ints, doubles diff --git a/src/BODY/body_nparticle.h b/src/BODY/body_nparticle.h index 89d08c86eb..22f15ee4fa 100644 --- a/src/BODY/body_nparticle.h +++ b/src/BODY/body_nparticle.h @@ -52,6 +52,23 @@ E: Invalid body nparticle command Arguments in atom-style command are not correct. +E: Invalid format in Bodies section of data file + +The specified number of integer or floating point values does not +appear. + +E: Incorrect # of integer values in Bodies section of data file + +See doc page for body style. + +E: Incorrect integer value in Bodies section of data file + +See doc page for body style. + +E: Incorrect # of floating-point values in Bodies section of data file + +See doc page for body style. + E: Insufficient Jacobi rotations for body nparticle Eigensolve for rigid body was not sufficiently accurate. diff --git a/src/CLASS2/pair_lj_class2_coul_long.h b/src/CLASS2/pair_lj_class2_coul_long.h index 4d4978c4df..6aecdb698a 100644 --- a/src/CLASS2/pair_lj_class2_coul_long.h +++ b/src/CLASS2/pair_lj_class2_coul_long.h @@ -74,6 +74,6 @@ The atom style defined does not have this attribute. E: Pair style requires a KSpace style -This pair style is designed for use with a KSpace style. +No kspace style is defined. */ diff --git a/src/COLLOID/pair_colloid.h b/src/COLLOID/pair_colloid.h index 18eec2290c..66957d280e 100644 --- a/src/COLLOID/pair_colloid.h +++ b/src/COLLOID/pair_colloid.h @@ -60,7 +60,7 @@ class PairColloid : public Pair { E: Overlapping small/large in pair colloid -This potential is inifinte when there is an overlap. +This potential is infinite when there is an overlap. E: Overlapping large/large in pair colloid diff --git a/src/GPU/pppm_gpu.cpp b/src/GPU/pppm_gpu.cpp index bb475b0eb5..af78ea4f2a 100644 --- a/src/GPU/pppm_gpu.cpp +++ b/src/GPU/pppm_gpu.cpp @@ -137,7 +137,7 @@ void PPPMGPU::init() // unsupported option if (differentiation_flag == 1) - error->all(FLERR,"Cannot do analytic differentiation with pppm/gpu"); + error->all(FLERR,"Cannot (yet) do analytic differentiation with pppm/gpu"); if (strcmp(update->integrate_style,"verlet/split") == 0) { kspace_split=true; diff --git a/src/KSPACE/ewald.h b/src/KSPACE/ewald.h index f4cd938cac..e8efd7bc8c 100644 --- a/src/KSPACE/ewald.h +++ b/src/KSPACE/ewald.h @@ -108,7 +108,7 @@ Must have periodic x,y dimensions and non-periodic z dimension to use E: KSpace style is incompatible with Pair style Setting a kspace style requires that a pair style with a long-range -Coulombic component be selected. +Coulombic or dispersion component be used. E: Cannot use kspace solver on system with no charge @@ -117,7 +117,7 @@ No atoms in system have a non-zero charge. W: System is not charge neutral, net charge = %g The total charge on all atoms on the system is not 0.0, which -is not valid for Ewald or PPPM. +is not valid for the long-range Coulombic solvers. E: KSpace accuracy must be > 0 diff --git a/src/KSPACE/ewald_disp.h b/src/KSPACE/ewald_disp.h index b076abb163..24cc2f2626 100644 --- a/src/KSPACE/ewald_disp.h +++ b/src/KSPACE/ewald_disp.h @@ -120,7 +120,7 @@ Must have periodic x,y dimensions and non-periodic z dimension to use E: KSpace style is incompatible with Pair style Setting a kspace style requires that a pair style with a long-range -Coulombic and Dispersion component be selected. +Coulombic or dispersion component be used. E: Unsupported mixing rule in kspace_style ewald/disp @@ -138,7 +138,7 @@ charges or change options of the kspace solver/pair style. W: System is not charge neutral, net charge = %g The total charge on all atoms on the system is not 0.0, which -is not valid for Ewald or PPPM. +is not valid for the long-range Coulombic solvers. E: KSpace accuracy too large to estimate G vector diff --git a/src/KSPACE/msm.h b/src/KSPACE/msm.h index 085633d8c7..eb2c5a4db7 100644 --- a/src/KSPACE/msm.h +++ b/src/KSPACE/msm.h @@ -169,8 +169,7 @@ Single precision cannot be used with MSM. E: KSpace style is incompatible with Pair style Setting a kspace style requires that a pair style with a long-range -Coulombic component be selected that is compatible with MSM. Note -that TIP4P is not (yet) supported by MSM. +Coulombic or dispersion component be used. E: Cannot use kspace solver on system with no charge @@ -179,7 +178,7 @@ No atoms in system have a non-zero charge. E: System is not charge neutral, net charge = %g The total charge on all atoms on the system is not 0.0, which -is not valid for MSM. +is not valid for the long-range Coulombic solvers. E: KSpace accuracy must be > 0 @@ -195,7 +194,7 @@ E: Too many MSM grid levels The max number of MSM grid levels is hardwired to 10. -W: MSM mesh too small, increasing to 2 points in each direction) +W: MSM mesh too small, increasing to 2 points in each direction Self-explanatory. diff --git a/src/KSPACE/pair_born_coul_long.h b/src/KSPACE/pair_born_coul_long.h index d8071547a0..639102277b 100644 --- a/src/KSPACE/pair_born_coul_long.h +++ b/src/KSPACE/pair_born_coul_long.h @@ -80,6 +80,6 @@ An atom style that defines this attribute must be used. E: Pair style requires a KSpace style -This pair style is designed for use with a KSpace style. +No kspace style is defined. */ diff --git a/src/KSPACE/pair_buck_coul_long.cpp b/src/KSPACE/pair_buck_coul_long.cpp index d8dfacd0b8..4ee47cabae 100644 --- a/src/KSPACE/pair_buck_coul_long.cpp +++ b/src/KSPACE/pair_buck_coul_long.cpp @@ -353,7 +353,7 @@ void PairBuckCoulLong::init_style() // insure use of KSpace long-range solver, set g_ewald if (force->kspace == NULL) - error->all(FLERR,"Pair style requres a KSpace style"); + error->all(FLERR,"Pair style requires a KSpace style"); g_ewald = force->kspace->g_ewald; neighbor->request(this); diff --git a/src/KSPACE/pair_buck_coul_long.h b/src/KSPACE/pair_buck_coul_long.h index 89115da0a1..7e020298b4 100644 --- a/src/KSPACE/pair_buck_coul_long.h +++ b/src/KSPACE/pair_buck_coul_long.h @@ -79,8 +79,8 @@ E: Pair style buck/coul/long requires atom attribute q The atom style defined does not have these attributes. -E: Pair style requres a KSpace style +E: Pair style requires a KSpace style -This pair style is designed for use with a KSpace style. +No kspace style is defined. */ diff --git a/src/KSPACE/pair_buck_long_coul_long.h b/src/KSPACE/pair_buck_long_coul_long.h index 8d29c2513a..28759bef5a 100644 --- a/src/KSPACE/pair_buck_long_coul_long.h +++ b/src/KSPACE/pair_buck_long_coul_long.h @@ -93,7 +93,7 @@ E: LJ6 off not supported in pair_style buck/long/coul/long Self-exlanatory. -E: Coulomb cut not supported in pair_style buck/long/coul/long +E: Coulomb cut not supported in pair_style buck/long/coul/coul Must use long-range Coulombic interactions. @@ -111,7 +111,7 @@ The atom style defined does not have this attribute. E: Pair style requires a KSpace style -This pair style is designed for use with a KSpace style. +No kspace style is defined. E: All pair coeffs are not set diff --git a/src/KSPACE/pair_coul_long.h b/src/KSPACE/pair_coul_long.h index 49ddb3a983..6fb4788032 100644 --- a/src/KSPACE/pair_coul_long.h +++ b/src/KSPACE/pair_coul_long.h @@ -72,6 +72,6 @@ The atom style defined does not have this attribute. E: Pair style requires a KSpace style -This pair style is designed for use with a KSpace style. +No kspace style is defined. */ diff --git a/src/KSPACE/pair_lj_charmm_coul_long.h b/src/KSPACE/pair_lj_charmm_coul_long.h index 2f4f0c55b7..4dc5aba28f 100644 --- a/src/KSPACE/pair_lj_charmm_coul_long.h +++ b/src/KSPACE/pair_lj_charmm_coul_long.h @@ -99,6 +99,6 @@ rRESPA cutoffs. E: Pair style requires a KSpace style -This pair style is designed for use with a KSpace style. +No kspace style is defined. */ diff --git a/src/KSPACE/pair_lj_cut_coul_long.h b/src/KSPACE/pair_lj_cut_coul_long.h index 9676b52d15..d233f54f9b 100644 --- a/src/KSPACE/pair_lj_cut_coul_long.h +++ b/src/KSPACE/pair_lj_cut_coul_long.h @@ -82,7 +82,7 @@ The atom style defined does not have this attribute. E: Pair style requires a KSpace style -This pair style is designed for use with a KSpace style. +No kspace style is defined. E: Pair cutoff < Respa interior cutoff diff --git a/src/KSPACE/pair_lj_cut_tip4p_long.h b/src/KSPACE/pair_lj_cut_tip4p_long.h index 5d0bfed4eb..12e20f568b 100644 --- a/src/KSPACE/pair_lj_cut_tip4p_long.h +++ b/src/KSPACE/pair_lj_cut_tip4p_long.h @@ -93,7 +93,7 @@ TIP4P potentials assume bond lengths in water are constrained by a fix shake command. E: Must use an angle style with TIP4P potential -d + TIP4P potentials assume angles in water are constrained by a fix shake command. diff --git a/src/KSPACE/pair_lj_long_coul_long.cpp b/src/KSPACE/pair_lj_long_coul_long.cpp index 87f56fbc76..98ccb04ae7 100644 --- a/src/KSPACE/pair_lj_long_coul_long.cpp +++ b/src/KSPACE/pair_lj_long_coul_long.cpp @@ -84,11 +84,13 @@ void PairLJLongCoulLong::settings(int narg, char **arg) if (!comm->me && ewald_order & (1<<6)) error->warning(FLERR,"Mixing forced for LJ coefficients"); if (!comm->me && ewald_order == ((1<<1) | (1<<6))) - error->warning(FLERR,"Using largest cutoff for pair_style lj/long/coullong"); + error->warning(FLERR, + "Using largest cutoff for pair_style lj/long/coul/long"); if (!*(++arg)) error->all(FLERR,"Cutoffs missing in pair_style lj/long/coul/long"); if (!((ewald_order^ewald_off) & (1<<1))) - error->all(FLERR,"Coulomb cut not supported in pair_style lj/long/coul/long"); + error->all(FLERR, + "Coulomb cut not supported in pair_style lj/long/coul/long"); cut_lj_global = force->numeric(*(arg++)); if (*arg && ((ewald_order & 0x42) == 0x42)) error->all(FLERR,"Only one cutoff allowed when requesting all long"); diff --git a/src/KSPACE/pair_lj_long_coul_long.h b/src/KSPACE/pair_lj_long_coul_long.h index e2a34bab5b..a47565886a 100644 --- a/src/KSPACE/pair_lj_long_coul_long.h +++ b/src/KSPACE/pair_lj_long_coul_long.h @@ -107,7 +107,7 @@ The atom style defined does not have this attribute. E: Pair style requires a KSpace style -This pair style is designed for use with a KSpace style. +No kspace style is defined. E: Pair cutoff < Respa interior cutoff diff --git a/src/KSPACE/pair_lj_long_tip4p_long.cpp b/src/KSPACE/pair_lj_long_tip4p_long.cpp index 1558fab408..23d415cefc 100755 --- a/src/KSPACE/pair_lj_long_tip4p_long.cpp +++ b/src/KSPACE/pair_lj_long_tip4p_long.cpp @@ -452,9 +452,11 @@ void PairLJLongTIP4PLong::settings(int narg, char **arg) if (!comm->me && ewald_order&(1<<6)) error->warning(FLERR,"Mixing forced for lj coefficients"); if (!comm->me && ewald_order==((1<<1)|(1<<6))) - error->warning(FLERR,"Using largest cutoff for pair_style lj/long/tip4p/long"); + error->warning(FLERR, + "Using largest cutoff for pair_style lj/long/tip4p/long"); if (!((ewald_order^ewald_off)&(1<<1))) - error->all(FLERR,"Coulombic cut not supported in pair_style lj/long/tip4p/long"); + error->all(FLERR, + "Coulomb cut not supported in pair_style lj/long/tip4p/long"); typeO = force->inumeric(arg[1]); typeH = force->inumeric(arg[2]); typeB = force->inumeric(arg[3]); diff --git a/src/KSPACE/pppm.h b/src/KSPACE/pppm.h index f60159d6d5..33783a13b1 100644 --- a/src/KSPACE/pppm.h +++ b/src/KSPACE/pppm.h @@ -232,7 +232,7 @@ This is a limitation of the PPPM implementation in LAMMPS. E: KSpace style is incompatible with Pair style Setting a kspace style requires that a pair style with a long-range -Coulombic component be selected. +Coulombic or dispersion component be used. E: Bond and angle potentials must be defined for TIP4P @@ -254,7 +254,7 @@ No atoms in system have a non-zero charge. W: System is not charge neutral, net charge = %g The total charge on all atoms on the system is not 0.0, which -is not valid for Ewald or PPPM. +is not valid for the long-range Coulombic solvers. W: Reducing PPPM order b/c stencil extends beyond nearest neighbor processor diff --git a/src/KSPACE/pppm_disp.cpp b/src/KSPACE/pppm_disp.cpp index e315147885..e36b5fe517 100755 --- a/src/KSPACE/pppm_disp.cpp +++ b/src/KSPACE/pppm_disp.cpp @@ -3009,9 +3009,12 @@ void PPPMDisp::set_n_pppm_6() count++; - // break loop if the accuracy has been reached or too many loops have been performed + // break loop if the accuracy has been reached + // or too many loops have been performed + if (df_kspace <= accuracy) break; - if (count > 500) error->all(FLERR, "Could not compute grid size for Dispersion!"); + if (count > 500) + error->all(FLERR,"Could not compute grid size for dispersion"); h *= 0.95; h_x = h_y = h_z = h; } @@ -3033,7 +3036,8 @@ double PPPMDisp::lj_rspace_error() double rgs = (cutoff_lj*g_ewald_6); rgs *= rgs; double rgs_inv = 1.0/rgs; - deltaf = csum/sqrt(natoms*xprd*yprd*zprd_slab*cutoff_lj)*sqrt(MY_PI)*pow(g_ewald_6, 5)* + deltaf = csum/sqrt(natoms*xprd*yprd*zprd_slab*cutoff_lj)* + sqrt(MY_PI)*pow(g_ewald_6,5)* exp(-rgs)*(1+rgs_inv*(3+rgs_inv*(6+rgs_inv*6))); return deltaf; } diff --git a/src/KSPACE/pppm_disp.h b/src/KSPACE/pppm_disp.h index 89437a1093..d76bef002a 100755 --- a/src/KSPACE/pppm_disp.h +++ b/src/KSPACE/pppm_disp.h @@ -383,7 +383,7 @@ This is a limitation of the PPPM implementation in LAMMPS. E: KSpace style is incompatible with Pair style Setting a kspace style requires that a pair style with a long-range -Coulombic and Dispersion component be selected. +Coulombic or dispersion component be used. E: Unsupported mixing rule in kspace_style pppm/disp for pair_style %s @@ -411,7 +411,7 @@ options of the kspace solver/pair style. W: System is not charge neutral, net charge = %g The total charge on all atoms on the system is not 0.0, which -is not valid for Ewald or PPPM coulombic solvers. +is not valid for the long-range Coulombic solvers. E: Bond and angle potentials must be defined for TIP4P diff --git a/src/KSPACE/pppm_old.h b/src/KSPACE/pppm_old.h index 33bb705eed..743cf6c3f7 100644 --- a/src/KSPACE/pppm_old.h +++ b/src/KSPACE/pppm_old.h @@ -167,84 +167,4 @@ class PPPMOld : public KSpace { /* ERROR/WARNING messages: -E: Illegal ... command - -UNDOCUMENTED - -E: Cannot (yet) use PPPM with triclinic box - -UNDOCUMENTED - -E: Cannot use PPPM with 2d simulation - -UNDOCUMENTED - -E: Kspace style requires atom attribute q - -UNDOCUMENTED - -E: Cannot use nonperiodic boundaries with PPPM - -UNDOCUMENTED - -E: Incorrect boundaries with slab PPPM - -UNDOCUMENTED - -E: PPPM order cannot be < 2 or > than %d - -UNDOCUMENTED - -E: KSpace style is incompatible with Pair style - -UNDOCUMENTED - -E: Bond and angle potentials must be defined for TIP4P - -UNDOCUMENTED - -E: Bad TIP4P angle type for PPPM/TIP4P - -UNDOCUMENTED - -E: Bad TIP4P bond type for PPPM/TIP4P - -UNDOCUMENTED - -E: Cannot use kspace solver on system with no charge - -UNDOCUMENTED - -W: System is not charge neutral, net charge = %g - -UNDOCUMENTED - -W: Reducing PPPM order b/c stencil extends beyond neighbor processor - -UNDOCUMENTED - -E: PPPM grid is too large - -UNDOCUMENTED - -E: PPPM order has been reduced to 0 - -UNDOCUMENTED - -E: KSpace accuracy must be > 0 - -UNDOCUMENTED - -E: Cannot compute PPPM G - -UNDOCUMENTED - -E: Out of range atoms - cannot compute PPPM - -UNDOCUMENTED - -E: Cannot (yet) use K-space slab correction with compute group/group - -UNDOCUMENTED - */ diff --git a/src/MC/fix_gcmc.cpp b/src/MC/fix_gcmc.cpp index c6184b79f8..d13135b8aa 100644 --- a/src/MC/fix_gcmc.cpp +++ b/src/MC/fix_gcmc.cpp @@ -100,7 +100,8 @@ FixGCMC::FixGCMC(LAMMPS *lmp, int narg, char **arg) : // error checks on region and its extent being inside simulation box - region_xlo = region_xhi = region_ylo = region_yhi = region_zlo = region_zhi = 0.0; + region_xlo = region_xhi = region_ylo = region_yhi = + region_zlo = region_zhi = 0.0; if (regionflag) { if (domain->regions[iregion]->bboxflag == 0) error->all(FLERR,"Fix gcmc region does not support a bounding box"); diff --git a/src/MC/fix_gcmc.h b/src/MC/fix_gcmc.h index 5e61c517e7..1893014d87 100644 --- a/src/MC/fix_gcmc.h +++ b/src/MC/fix_gcmc.h @@ -205,14 +205,6 @@ E: Fix gcmc incorrect number of atoms per molecule The number of atoms in each gas molecule was not computed correctly. -E: Fix gcmc region cannot be dynamic - -Only static regions can be used with fix gcmc. - -E: Fix gcmc region extends outside simulation box - -Self-explanatory. - E: Region ID for fix gcmc does not exist Self-explanatory. diff --git a/src/RIGID/fix_rigid_nh.h b/src/RIGID/fix_rigid_nh.h index f62f2d889a..4425de399e 100644 --- a/src/RIGID/fix_rigid_nh.h +++ b/src/RIGID/fix_rigid_nh.h @@ -133,13 +133,13 @@ E: Fix rigid npt/nph dilate group ID does not exist Self-explanatory. -E: Temperature ID for fix rigid nvt/npt does not exist +E: Temperature ID for fix rigid nvt/npt/nph does not exist -Self-explanatory +Self-explanatory. -E: fix rigid npt/nph does not yet allow triclinic box +E: Fix rigid npt/nph does not yet allow triclinic box -This is a current restriction of the command. +Self-explanatory. E: Cannot use fix rigid npt/nph and fix deform on same component of stress tensor diff --git a/src/RIGID/fix_rigid_nvt.h b/src/RIGID/fix_rigid_nvt.h index 0a0b8b151e..8f2e460196 100644 --- a/src/RIGID/fix_rigid_nvt.h +++ b/src/RIGID/fix_rigid_nvt.h @@ -37,12 +37,6 @@ class FixRigidNVT : public FixRigidNH { /* ERROR/WARNING messages: -E: Illegal ... command - -Self-explanatory. Check the input script syntax and compare to the -documentation for the command. You can use -echo screen as a -command-line option when running LAMMPS to see the offending line. - E: Did not set temperature for fix rigid/nvt The temp keyword must be specified. @@ -55,6 +49,12 @@ E: Fix rigid/nvt period must be > 0.0 Self-explanatory. +E: Illegal ... command + +Self-explanatory. Check the input script syntax and compare to the +documentation for the command. You can use -echo screen as a +command-line option when running LAMMPS to see the offending line. + E: Fix rigid/nvt temperature order must be 3 or 5 Self-explanatory. diff --git a/src/SHOCK/fix_append_atoms.cpp b/src/SHOCK/fix_append_atoms.cpp index 7fe1d4a38d..8c7018c84b 100644 --- a/src/SHOCK/fix_append_atoms.cpp +++ b/src/SHOCK/fix_append_atoms.cpp @@ -127,7 +127,7 @@ FixAppendAtoms::FixAppendAtoms(LAMMPS *lmp, int narg, char **arg) : } else if (strcmp(arg[iarg],"basis") == 0) { if (iarg+3 > narg) error->all(FLERR,"Illegal fix append/atoms command"); if (domain->lattice == NULL) - error->all(FLERR,"Fis append/atoms requires a lattice be defined"); + error->all(FLERR,"Fix append/atoms requires a lattice be defined"); int ibasis = atoi(arg[iarg+1]); int itype = atoi(arg[iarg+2]); if (ibasis <= 0 || ibasis > nbasis || itype <= 0 || itype > atom->ntypes) diff --git a/src/atom_vec_body.cpp b/src/atom_vec_body.cpp index 1809b21e1c..dc4aaa7377 100644 --- a/src/atom_vec_body.cpp +++ b/src/atom_vec_body.cpp @@ -1422,7 +1422,7 @@ void AtomVecBody::check(int flag) for (int i = 0; i < atom->nlocal; i++) { if (atom->body[i] >= 0 && atom->body[i] >= nlocal_bonus) { printf("Proc %d, step %ld, flag %d\n",comm->me,update->ntimestep,flag); - error->one(FLERR,"BAD AAA"); + errorx->one(FLERR,"BAD AAA"); } } for (int i = atom->nlocal; i < atom->nlocal+atom->nghost; i++) { @@ -1430,32 +1430,32 @@ void AtomVecBody::check(int flag) (atom->body[i] < nlocal_bonus || atom->body[i] >= nlocal_bonus+nghost_bonus)) { printf("Proc %d, step %ld, flag %d\n",comm->me,update->ntimestep,flag); - error->one(FLERR,"BAD BBB"); + errorx->one(FLERR,"BAD BBB"); } } for (int i = 0; i < nlocal_bonus; i++) { if (bonus[i].ilocal < 0 || bonus[i].ilocal >= atom->nlocal) { printf("Proc %d, step %ld, flag %d\n",comm->me,update->ntimestep,flag); - error->one(FLERR,"BAD CCC"); + errorx->one(FLERR,"BAD CCC"); } } for (int i = 0; i < nlocal_bonus; i++) { if (atom->body[bonus[i].ilocal] != i) { printf("Proc %d, step %ld, flag %d\n",comm->me,update->ntimestep,flag); - error->one(FLERR,"BAD DDD"); + errorx->one(FLERR,"BAD DDD"); } } for (int i = nlocal_bonus; i < nlocal_bonus+nghost_bonus; i++) { if (bonus[i].ilocal < atom->nlocal || bonus[i].ilocal >= atom->nlocal+atom->nghost) { printf("Proc %d, step %ld, flag %d\n",comm->me,update->ntimestep,flag); - error->one(FLERR,"BAD EEE"); + errorx->one(FLERR,"BAD EEE"); } } for (int i = nlocal_bonus; i < nlocal_bonus+nghost_bonus; i++) { if (atom->body[bonus[i].ilocal] != i) { printf("Proc %d, step %ld, flag %d\n",comm->me,update->ntimestep,flag); - error->one(FLERR,"BAD FFF"); + errorx->one(FLERR,"BAD FFF"); } } } diff --git a/src/input.h b/src/input.h index 48bd5114cd..ca59734e3c 100644 --- a/src/input.h +++ b/src/input.h @@ -156,6 +156,10 @@ E: Invalid variable name Variable name used in an input script line is invalid. +E: Invalid immediate variable + +Syntax of immediate value is incorrect. + E: Substitution for illegal variable Input script line contained a variable that could not be substituted diff --git a/src/kspace.h b/src/kspace.h index c8662b53de..1f0a0a3e82 100644 --- a/src/kspace.h +++ b/src/kspace.h @@ -162,11 +162,8 @@ No pair style is defined. E: KSpace style is incompatible with Pair style -The Ewald and PPPM solvers work with pair styles with a "coul/long" in -their name. The MSM solver with pair styles with a "coul/msm" in -their name, The dispersion solvers with pair styles with a "lj/long" -in the name. The TIP4P solvers with pair styles with a "tip4p" in the -name. +Setting a kspace style requires that a pair style with a long-range +Coulombic or dispersion component be used. W: For better accuracy use 'pair_modify table 0' diff --git a/src/pair.cpp b/src/pair.cpp index 96d68f6f70..77a596f3d4 100644 --- a/src/pair.cpp +++ b/src/pair.cpp @@ -255,7 +255,7 @@ void Pair::init_tables(double cut_coul, double *cut_respa) double qqrd2e = force->qqrd2e; if (force->kspace == NULL) - error->all(FLERR,"Pair style requres a KSpace style"); + error->all(FLERR,"Pair style requires a KSpace style"); double g_ewald = force->kspace->g_ewald; double cut_coulsq = cut_coul * cut_coul; diff --git a/src/pair.h b/src/pair.h index 3200f9f751..c6c22d15d2 100644 --- a/src/pair.h +++ b/src/pair.h @@ -236,7 +236,7 @@ E: All pair coeffs are not set All pair coefficients must be set in the data file or by the pair_coeff command before running a simulation. -E: Pair style requres a KSpace style +E: Pair style requires a KSpace style No kspace style is defined.