diff --git a/src/DIPOLE/pair_lj_cut_dipole_long.h b/src/DIPOLE/pair_lj_cut_dipole_long.h index 5dc47eb7b2..91e7536576 100755 --- a/src/DIPOLE/pair_lj_cut_dipole_long.h +++ b/src/DIPOLE/pair_lj_cut_dipole_long.h @@ -65,20 +65,24 @@ E: Incorrect args in pair_style command Self-explanatory. -E: Cannot (yet) use 'electron' units with dipoles - -This feature is not yet supported. - E: Incorrect args for pair coefficients Self-explanatory. Check the input script or data file. -E: Pair dipole/cut requires atom attributes q, mu, torque +E: Pair dipole/long requires atom attributes q, mu, torque -The atom style defined does not have these attributes. +UNDOCUMENTED + +E: Cannot (yet) use 'electron' units with dipoles + +This feature is not yet supported. E: Pair style requires a KSpace style No kspace style is defined. -*/ \ No newline at end of file +U: Pair dipole/cut requires atom attributes q, mu, torque + +The atom style defined does not have these attributes. + +*/ diff --git a/src/DIPOLE/pair_lj_long_dipole_long.cpp b/src/DIPOLE/pair_lj_long_dipole_long.cpp index 85eaf5e9a8..bd60345ec2 100755 --- a/src/DIPOLE/pair_lj_long_dipole_long.cpp +++ b/src/DIPOLE/pair_lj_long_dipole_long.cpp @@ -59,22 +59,15 @@ PairLJLongDipoleLong::PairLJLongDipoleLong(LAMMPS *lmp) : Pair(lmp) // global settings // ---------------------------------------------------------------------- -#define PAIR_ILLEGAL "Illegal pair_style lj/long/dipole/long command" -#define PAIR_CUTOFF "Only one cut-off allowed when requesting all long" -#define PAIR_MISSING "Cut-offs missing in pair_style lj/long/dipole/long" -#define PAIR_COUL_CUT "Coulombic cut not supported in pair_style lj/long/dipole/long" -#define PAIR_LARGEST "Using largest cut-off for lj/long/dipole/long long long" -#define PAIR_MIX "Geometric mixing assumed for 1/r^6 coefficients" - void PairLJLongDipoleLong::options(char **arg, int order) { const char *option[] = {"long", "cut", "off", NULL}; int i; - if (!*arg) error->all(FLERR,PAIR_ILLEGAL); + if (!*arg) error->all(FLERR,"Illegal pair_style lj/long/dipole/long command"); for (i=0; option[i]&&strcmp(arg[0], option[i]); ++i); switch (i) { - default: error->all(FLERR,PAIR_ILLEGAL); + default: error->all(FLERR,"Illegal pair_style lj/long/dipole/long command"); case 0: ewald_order |= 1<me && ewald_order&(1<<6)) - error->warning(FLERR,PAIR_MIX); + error->warning(FLERR,"Geometric mixing assumed for 1/r^6 coefficients"); if (!comm->me && ewald_order==((1<<3)|(1<<6))) - error->warning(FLERR,PAIR_LARGEST); + error->warning(FLERR, + "Using largest cut-off for lj/long/dipole/long long long"); if (!*(++arg)) - error->all(FLERR,PAIR_MISSING); + error->all(FLERR,"Cut-offs missing in pair_style lj/long/dipole/long"); if (!((ewald_order^ewald_off)&(1<<3))) - error->all(FLERR,PAIR_COUL_CUT); + error->all(FLERR, + "Coulombic cut not supported in pair_style lj/long/dipole/long"); cut_lj_global = force->numeric(FLERR,*(arg++)); if (narg == 4 && (ewald_order==74)) - error->all(FLERR,PAIR_CUTOFF); + error->all(FLERR,"Only one cut-off allowed when requesting all long"); if (narg == 4) cut_coul = force->numeric(FLERR,*(arg++)); else cut_coul = cut_lj_global; @@ -194,7 +189,8 @@ void *PairLJLongDipoleLong::extract(const char *id, int &dim) void PairLJLongDipoleLong::coeff(int narg, char **arg) { - if (narg < 4 || narg > 5) error->all(FLERR,"Incorrect args for pair coefficients"); + if (narg < 4 || narg > 5) + error->all(FLERR,"Incorrect args for pair coefficients"); if (!allocated) allocate(); int ilo,ihi,jlo,jhi; diff --git a/src/DIPOLE/pair_lj_long_dipole_long.h b/src/DIPOLE/pair_lj_long_dipole_long.h index 561156c5e3..2d7fa1130a 100755 --- a/src/DIPOLE/pair_lj_long_dipole_long.h +++ b/src/DIPOLE/pair_lj_long_dipole_long.h @@ -74,21 +74,21 @@ W: Geometric mixing assumed for 1/r^6 coefficients Self-explanatory. -W: Using largest cutoff for lj/long/dipole/long +W: Using largest cut-off for lj/long/dipole/long long long -Self-exlanatory. +UNDOCUMENTED -E: Cutoffs missing in pair_style lj/long/dipole/long +E: Cut-offs missing in pair_style lj/long/dipole/long -Self-exlanatory. +UNDOCUMENTED E: Coulombic cut not supported in pair_style lj/long/dipole/long Must use long-range Coulombic interactions. -E: Only one cutoff allowed when requesting all long +E: Only one cut-off allowed when requesting all long -Self-explanatory. +UNDOCUMENTED E: Incorrect args for pair coefficients @@ -108,10 +108,27 @@ The atom style defined does not have these attributes. E: Pair style is incompatible with KSpace style -Self-explanatory. +If a pair style with a long-range Coulombic component is selected, +then a kspace style must also be used. E: Pair style lj/long/dipole/long does not currently support respa This feature is not yet supported. -*/ \ No newline at end of file +E: Pair cutoff < Respa interior cutoff + +UNDOCUMENTED + +U: Using largest cutoff for lj/long/dipole/long + +Self-exlanatory. + +U: Cutoffs missing in pair_style lj/long/dipole/long + +Self-exlanatory. + +U: Only one cutoff allowed when requesting all long + +Self-explanatory. + +*/ diff --git a/src/GPU/pair_gayberne_gpu.h b/src/GPU/pair_gayberne_gpu.h index cdfdeb8932..4c64376482 100644 --- a/src/GPU/pair_gayberne_gpu.h +++ b/src/GPU/pair_gayberne_gpu.h @@ -49,15 +49,15 @@ class PairGayBerneGPU : public PairGayBerne { /* ERROR/WARNING messages: -E: Pair gayberne/gpu requires atom style ellipsoid - -Self-explanatory. - E: Insufficient memory on accelerator There is insufficient memory on one of the devices specified for the gpu package +E: Pair gayberne/gpu requires atom style ellipsoid + +Self-explanatory. + E: Cannot use newton pair with gayberne/gpu pair style Self-explanatory. diff --git a/src/GRANULAR/fix_pour.h b/src/GRANULAR/fix_pour.h index e740ad25e4..5c596715d7 100644 --- a/src/GRANULAR/fix_pour.h +++ b/src/GRANULAR/fix_pour.h @@ -90,6 +90,10 @@ E: Fix pour region ID does not exist Self-explanatory. +E: Fix pour polydisperse fractions do not sum to 1.0 + +UNDOCUMENTED + E: Must specify a region in fix pour The region keyword must be specified with this fix. diff --git a/src/KSPACE/ewald_disp.h b/src/KSPACE/ewald_disp.h index dc1735e95b..02c7118a2b 100644 --- a/src/KSPACE/ewald_disp.h +++ b/src/KSPACE/ewald_disp.h @@ -145,11 +145,6 @@ 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 the long-range Coulombic solvers. -E: KSpace accuracy too large to estimate G vector - -Reduce the accuracy request or specify gwald explicitly -via the kspace_modify command. - W: Ewald/disp Newton solver failed, using old method to estimate g_ewald Self-explanatory. Choosing a different cutoff value may help. @@ -162,4 +157,9 @@ E: Epsilon or sigma reference not set by pair style in ewald/n The pair style is not providing the needed epsilon or sigma values. +U: KSpace accuracy too large to estimate G vector + +Reduce the accuracy request or specify gwald explicitly +via the kspace_modify command. + */ diff --git a/src/KSPACE/msm.h b/src/KSPACE/msm.h index 8f9b64f105..ce6476f5b6 100644 --- a/src/KSPACE/msm.h +++ b/src/KSPACE/msm.h @@ -192,6 +192,11 @@ E: KSpace accuracy must be > 0 The kspace accuracy designated in the input must be greater than zero. +W: Adjusting Coulombic cutoff for MSM, new cutoff = %g + +The adjust/cutoff command is turned on and the Coulombic cutoff has been +adjusted to match the user-specified accuracy. + W: Number of MSM mesh points increased to be a multiple of 2 MSM requires that the number of grid points in each direction be a multiple @@ -206,11 +211,6 @@ W: MSM mesh too small, increasing to 2 points in each direction Self-explanatory. -W: Adjusting Coulombic cutoff for MSM, new cutoff = %g - -The adjust/cutoff command is turned on and the Coulombic cutoff has been -adjusted to match the user-specified accuracy. - E: MSM grid is too large The global MSM grid is larger than OFFSET in one or more dimensions. diff --git a/src/KSPACE/pair_lj_long_coul_long.cpp b/src/KSPACE/pair_lj_long_coul_long.cpp index 96af73c172..d9ae34c744 100644 --- a/src/KSPACE/pair_lj_long_coul_long.cpp +++ b/src/KSPACE/pair_lj_long_coul_long.cpp @@ -91,7 +91,8 @@ void PairLJLongCoulLong::settings(int narg, char **arg) 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(FLERR,*(arg++)); if (narg == 4 && ((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 2e67bacf35..b1d768de38 100644 --- a/src/KSPACE/pair_lj_long_coul_long.h +++ b/src/KSPACE/pair_lj_long_coul_long.h @@ -77,13 +77,13 @@ 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. -W: Mixing forced for LJ coefficients +W: Mixing forced for lj coefficients -Self-explanatory. +UNDOCUMENTED -W: Using largest cutoff for pair_style lj/long/coul/long +W: Using largest cutoff for lj/long/coul/long -Self-explanatory. +UNDOCUMENTED E: Cutoffs missing in pair_style lj/long/coul/long @@ -101,9 +101,9 @@ E: Incorrect args for pair coefficients Self-explanatory. Check the input script or data file. -E: Pair style lj/long/coul/long requires atom attribute q +E: Invoking coulombic in pair style lj/coul requires atom attribute q -The atom style defined does not have this attribute. +UNDOCUMENTED E: Pair style requires a KSpace style @@ -114,4 +114,16 @@ E: Pair cutoff < Respa interior cutoff One or more pairwise cutoffs are too short to use with the specified rRESPA cutoffs. +U: Mixing forced for LJ coefficients + +Self-explanatory. + +U: Using largest cutoff for pair_style lj/long/coul/long + +Self-explanatory. + +U: Pair style lj/long/coul/long requires atom attribute q + +The atom style defined does not have this attribute. + */ diff --git a/src/KSPACE/pppm.cpp b/src/KSPACE/pppm.cpp index 1f4b007374..7eecd0b678 100644 --- a/src/KSPACE/pppm.cpp +++ b/src/KSPACE/pppm.cpp @@ -177,7 +177,7 @@ void PPPM::init() triclinic_check(); if (domain->triclinic && differentiation_flag == 1) error->all(FLERR,"Cannot (yet) use PPPM with triclinic box " - "and kspace_modify diff a'"); + "and kspace_modify diff ad"); if (domain->triclinic && slabflag) error->all(FLERR,"Cannot (yet) use PPPM with triclinic box and " "slab correction"); @@ -3061,8 +3061,8 @@ void PPPM::compute_group_group(int groupbit_A, int groupbit_B, int BA_flag) "correction with compute group/group"); if (differentiation_flag) - error->all(FLERR,"Cannot (yet) use 'kspace_modify " - "diff ad' with compute group/group"); + error->all(FLERR,"Cannot (yet) use kspace_modify " + "diff ad with compute group/group"); if (!group_allocate_flag) allocate_groups(); diff --git a/src/KSPACE/pppm.h b/src/KSPACE/pppm.h index a9686487aa..4c93e72f3a 100644 --- a/src/KSPACE/pppm.h +++ b/src/KSPACE/pppm.h @@ -209,7 +209,7 @@ 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: Cannot (yet) use PPPM with triclinic box and 'kspace_modify diff ad' +E: Cannot (yet) use PPPM with triclinic box and kspace_modify diff ad This feature is not yet supported. @@ -328,7 +328,7 @@ E: Cannot (yet) use K-space slab correction with compute group/group This option is not yet supported. -E: Cannot (yet) use 'kspace_modify diff ad' with compute group/group +E: Cannot (yet) use kspace_modify diff ad with compute group/group This option is not yet supported. diff --git a/src/KSPACE/pppm_disp.h b/src/KSPACE/pppm_disp.h index 2751cf95e1..1a0eff78af 100755 --- a/src/KSPACE/pppm_disp.h +++ b/src/KSPACE/pppm_disp.h @@ -348,10 +348,6 @@ 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: Cannot (yet) use PPPMDisp with triclinic box - -UNDOCUMENTED - E: Cannot use PPPMDisp with 2d simulation UNDOCUMENTED @@ -371,7 +367,7 @@ UNDOCUMENTED 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 @@ -398,7 +394,7 @@ 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 @@ -413,7 +409,7 @@ E: Bad TIP4P bond type for PPPMDisp/TIP4P UNDOCUMENTED -W: Reducing PPPMDisp Coulomb order b/c stencil extends beyond neighbor processor. +W: Reducing PPPMDisp Coulomb order b/c stencil extends beyond neighbor processor UNDOCUMENTED @@ -425,7 +421,7 @@ E: Coulomb PPPMDisp order has been reduced below minorder UNDOCUMENTED -W: Reducing PPPMDisp Dispersion order b/c stencil extends beyond neighbor processor +W: Reducing PPPMDisp dispersion order b/c stencil extends beyond neighbor processor UNDOCUMENTED @@ -439,7 +435,7 @@ UNDOCUMENTED E: PPPM grid stencil extends beyond nearest neighbor processor -UNDOCUMENTED +This is not allowed if the kspace_modify overlap setting is no. E: epsilon or sigma reference not set by pair style in PPPMDisp @@ -447,7 +443,8 @@ UNDOCUMENTED E: KSpace accuracy too large to estimate G vector -UNDOCUMENTED +Reduce the accuracy request or specify gwald explicitly +via the kspace_modify command. E: Could not compute grid size for Coulomb interaction! @@ -455,7 +452,9 @@ UNDOCUMENTED E: Could not compute g_ewald -UNDOCUMENTED +The Newton-Raphson solver failed to converge to a good value for +g_ewald. This error should not occur for typical problems. Please +send an email to the developers. E: Could not adjust g_ewald_6 @@ -475,6 +474,27 @@ E: Out of range atoms - cannot compute PPPMDisp UNDOCUMENTED +U: Cannot (yet) use PPPMDisp with triclinic box + +UNDOCUMENTED + +U: Reducing PPPMDisp Coulomb order b/c stencil extends beyond neighbor processor. + +UNDOCUMENTED + +U: Reducing PPPMDisp dispersion order b/c stencil extends beyond +neighbor processor + +UNDOCUMENTED + +U: PPPMDisp dispersion grid is too large + +UNDOCUMENTED + +U: Could not compute grid size for dispersion + +UNDOCUMENTED + U: Cannot (yet) use PPPM_disp with triclinic box This feature is not yet supported. @@ -529,42 +549,42 @@ U: Reducing PPPM_disp Coulomb order b/c stencil extends beyond neighbor processo LAMMPS is attempting this in order to allow the simulation to run. It should not effect the PPPM_disp accuracy. -U: Reducing PPPM_disp Dispersion order b/c stencil extends beyond neighbor processor +U: Reducing PPPM_disp dispersion order b/c stencil extends beyond neighbor processor LAMMPS is attempting this in order to allow the simulation to run. It should not effect the PPPM_disp accuracy. U: PPPM_disp Coulomb grid is too large -The global PPPM_disp grid for Coulomb interactions is larger than OFFSET in one or more dimensions. -OFFSET is currently set to 16384. You likely need to decrease the -requested precision. +The global PPPM_disp grid for Coulomb interactions is larger than +OFFSET in one or more dimensions. OFFSET is currently set to 16384. +You likely need to decrease the requested precision. -U: PPPM_grid Dispersion grid is too large +U: PPPM_grid dispersion grid is too large -One of the PPPM_disp grids for Dispersion interactions is larger than OFFSET in one or more dimensions. -OFFSET is currently set to 16384. You likely need to decrease the -requested precision. +One of the PPPM_disp grids for dispersion interactions is larger than +OFFSET in one or more dimensions. OFFSET is currently set to 16384. +You likely need to decrease the requested precision. U: Coulomb PPPM_disp order has been reduced to 0 -LAMMPS has attempted to reduce the PPPM_disp coulomb order to enable the simulation -to run, but can reduce the order no further. Try increasing the -accuracy of PPPM_disp coulomb by reducing the tolerance size, thus inducing a -larger PPPM_disp coulomb grid. +LAMMPS has attempted to reduce the PPPM_disp coulomb order to enable +the simulation to run, but can reduce the order no further. Try +increasing the accuracy of PPPM_disp coulomb by reducing the tolerance +size, thus inducing a larger PPPM_disp coulomb grid. U: Dispersion PPPM_disp order has been reduced to 0 -LAMMPS has attempted to reduce the PPPM_disp dispersion order to enable the simulation -to run, but can reduce the order no further. Try increasing the -accuracy of PPPM_disp dispersion by reducing the tolerance size, thus inducing a -larger PPPM_disp dispersion grid. +LAMMPS has attempted to reduce the PPPM_disp dispersion order to +enable the simulation to run, but can reduce the order no further. +Try increasing the accuracy of PPPM_disp dispersion by reducing the +tolerance size, thus inducing a larger PPPM_disp dispersion grid. U: Cannot compute PPPM_disp g_ewald -LAMMPS failed to compute a valid approximation for the PPPM_disp g_ewald -factor that partitions the computation between real space and k-space -for Coulomb interactions. +LAMMPS failed to compute a valid approximation for the PPPM_disp +g_ewald factor that partitions the computation between real space and +k-space for Coulomb interactions. U: Cannot compute final g_ewald_disp diff --git a/src/KSPACE/pppm_old.h b/src/KSPACE/pppm_old.h index 743cf6c3f7..bc3d9708b6 100644 --- a/src/KSPACE/pppm_old.h +++ b/src/KSPACE/pppm_old.h @@ -167,4 +167,80 @@ class PPPMOld : public KSpace { /* ERROR/WARNING messages: +E: Illegal ... command + +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/MOLECULE/pair_lj_cut_tip4p_cut.h b/src/MOLECULE/pair_lj_cut_tip4p_cut.h index 5aaacbed78..df4b5a90c9 100644 --- a/src/MOLECULE/pair_lj_cut_tip4p_cut.h +++ b/src/MOLECULE/pair_lj_cut_tip4p_cut.h @@ -64,3 +64,47 @@ class PairLJCutTIP4PCut : public Pair { #endif #endif + +/* ERROR/WARNING messages: + +E: TIP4P hydrogen is missing + +UNDOCUMENTED + +E: TIP4P hydrogen has incorrect atom type + +UNDOCUMENTED + +E: Illegal ... command + +UNDOCUMENTED + +E: Incorrect args for pair coefficients + +UNDOCUMENTED + +E: Pair style lj/cut/coul/cut/tip4p requires atom IDs + +UNDOCUMENTED + +E: Pair style lj/cut/coul/cut/tip4p requires newton pair on + +UNDOCUMENTED + +E: Pair style lj/cut/coul/cut/tip4p requires atom attribute q + +UNDOCUMENTED + +E: Must use a bond style with TIP4P potential + +UNDOCUMENTED + +E: Must use an angle style with TIP4P potential + +UNDOCUMENTED + +E: Water H epsilon must be 0.0 for pair style lj/cut/coul/long/tip4p + +UNDOCUMENTED + +*/ diff --git a/src/PERI/pair_peri_lps.h b/src/PERI/pair_peri_lps.h index e6cfee15f5..22d901e4f8 100644 --- a/src/PERI/pair_peri_lps.h +++ b/src/PERI/pair_peri_lps.h @@ -90,10 +90,6 @@ E: Pair peri requires an atom map, see atom_modify Even for atomic systems, an atom map is required to find Peridynamic bonds. Use the atom_modify command to define one. -E: Pair peri requires a lattice be defined - -Use the lattice command for this purpose. - E: Pair peri lattice is not identical in x, y, and z The lattice defined by the lattice command must be cubic. @@ -107,4 +103,8 @@ E: Divide by 0 in influence function of pair peri/lps This should not normally occur. It is likely a problem with your model. +U: Pair peri requires a lattice be defined + +Use the lattice command for this purpose. + */ diff --git a/src/PERI/pair_peri_pmb.h b/src/PERI/pair_peri_pmb.h index 81e78bb368..b69fe4c3a7 100644 --- a/src/PERI/pair_peri_pmb.h +++ b/src/PERI/pair_peri_pmb.h @@ -83,10 +83,6 @@ E: Pair peri requires an atom map, see atom_modify Even for atomic systems, an atom map is required to find Peridynamic bonds. Use the atom_modify command to define one. -E: Pair peri requires a lattice be defined - -Use the lattice command for this purpose. - E: Pair peri lattice is not identical in x, y, and z The lattice defined by the lattice command must be cubic. @@ -95,4 +91,8 @@ E: Fix peri neigh does not exist Somehow a fix that the pair style defines has been deleted. +U: Pair peri requires a lattice be defined + +Use the lattice command for this purpose. + */ diff --git a/src/RIGID/fix_rigid.h b/src/RIGID/fix_rigid.h index 3c9b61bff9..cf4206bb24 100644 --- a/src/RIGID/fix_rigid.h +++ b/src/RIGID/fix_rigid.h @@ -195,6 +195,10 @@ NPT/NPH fix must be defined in input script after all rigid fixes, else the rigid fix contribution to the pressure virial is incorrect. +W: Cannot count rigid body degrees-of-freedom before bodies are fully initialized + +UNDOCUMENTED + W: Computing temperature of portions of rigid bodies The group defined by the temperature compute does not encompass all diff --git a/src/RIGID/fix_rigid_small.h b/src/RIGID/fix_rigid_small.h index db5d0adb2f..ed93caf48c 100644 --- a/src/RIGID/fix_rigid_small.h +++ b/src/RIGID/fix_rigid_small.h @@ -204,6 +204,10 @@ NPT/NPH fix must be defined in input script after all rigid fixes, else the rigid fix contribution to the pressure virial is incorrect. +W: Cannot count rigid body degrees-of-freedom before bodies are fully initialized + +UNDOCUMENTED + W: Computing temperature of portions of rigid bodies The group defined by the temperature compute does not encompass all diff --git a/src/SHOCK/fix_append_atoms.h b/src/SHOCK/fix_append_atoms.h index 043f5d1c1d..29a2228bae 100644 --- a/src/SHOCK/fix_append_atoms.h +++ b/src/SHOCK/fix_append_atoms.h @@ -82,6 +82,10 @@ E: Bad fix ID in fix append/atoms command The value of the fix_id for keyword spatial must start with the suffix f_. +E: Invalid basis setting in fix append/atoms command + +UNDOCUMENTED + E: Cannot use append/atoms in periodic dimension The boundary style of the face where atoms are added can not be of @@ -92,12 +96,12 @@ E: Cannot append atoms to a triclinic box The simulation box must be defined with edges alligned with the Cartesian axes. -E: Use of fix append/atoms with undefined lattice - -A lattice must be defined before using this fix. - E: Fix ID for fix ave/spatial does not exist Self-explanatory. +U: Use of fix append/atoms with undefined lattice + +A lattice must be defined before using this fix. + */ diff --git a/src/SHOCK/fix_wall_piston.h b/src/SHOCK/fix_wall_piston.h index 15e4d9c0ef..ea2b433571 100644 --- a/src/SHOCK/fix_wall_piston.h +++ b/src/SHOCK/fix_wall_piston.h @@ -70,12 +70,12 @@ E: Cannot use wall in periodic dimension Self-explanatory. -E: Use of fix wall/piston with undefined lattice - -A lattice must be defined before using this fix. - E: NL ramp in wall/piston only implemented in zlo for now The ramp keyword can only be used for piston applied to face zlo. +U: Use of fix wall/piston with undefined lattice + +A lattice must be defined before using this fix. + */ diff --git a/src/SRD/fix_srd.h b/src/SRD/fix_srd.h index 93faa4ba15..4498a49964 100644 --- a/src/SRD/fix_srd.h +++ b/src/SRD/fix_srd.h @@ -340,6 +340,10 @@ W: SRD particle %d started inside big particle %d on step %ld bounce %d See the inside keyword if you want this message to be an error vs warning. +W: SRD particle %d started inside big particle %d on step %ld bounce %d + +UNDOCUMENTED + E: Bad quadratic solve for particle/line collision This is an internal error. It should nornally not occur. diff --git a/src/SRD/fix_wall_srd.h b/src/SRD/fix_wall_srd.h index 99265ad2c8..ab02b79d0c 100644 --- a/src/SRD/fix_wall_srd.h +++ b/src/SRD/fix_wall_srd.h @@ -78,11 +78,6 @@ E: Cannot use fix wall/srd zlo/zhi for a 2d simulation Self-explanatory. -E: Use of fix wall with undefined lattice - -Must use lattice command with fix wall command if units option is set -to lattice. - E: Cannot use fix wall/srd without fix srd Self-explanatory. @@ -95,4 +90,9 @@ E: Variable for fix wall/srd is invalid style Only equal-style variables can be used. +U: Use of fix wall with undefined lattice + +Must use lattice command with fix wall command if units option is set +to lattice. + */