diff --git a/src/FLD/pair_brownian.h b/src/FLD/pair_brownian.h index 99fad06a14..6fbd74e760 100644 --- a/src/FLD/pair_brownian.h +++ b/src/FLD/pair_brownian.h @@ -71,6 +71,10 @@ 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: Cannot include log terms without 1/r terms; setting flagHI to 1 + +Self-explanatory. + E: Incorrect args for pair coefficients Self-explanatory. Check the input script or data file. diff --git a/src/FLD/pair_lubricate.h b/src/FLD/pair_lubricate.h index eb2d3ee228..2a7f1bf70c 100644 --- a/src/FLD/pair_lubricate.h +++ b/src/FLD/pair_lubricate.h @@ -72,6 +72,10 @@ 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: Cannot include log terms without 1/r terms; setting flagHI to 1 + +Self-explanatory. + E: Incorrect args for pair coefficients Self-explanatory. Check the input script or data file. diff --git a/src/FLD/pair_lubricateU.h b/src/FLD/pair_lubricateU.h index ca8f15a232..9141170dd1 100644 --- a/src/FLD/pair_lubricateU.h +++ b/src/FLD/pair_lubricateU.h @@ -87,6 +87,10 @@ 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: Cannot include log terms without 1/r terms; setting flagHI to 1. + +Self-explanatory. + E: Incorrect args for pair coefficients Self-explanatory. Check the input script or data file. diff --git a/src/FLD/pair_lubricateU_poly.h b/src/FLD/pair_lubricateU_poly.h index 755788b718..6c8fa9cc9f 100644 --- a/src/FLD/pair_lubricateU_poly.h +++ b/src/FLD/pair_lubricateU_poly.h @@ -56,6 +56,10 @@ 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: Cannot include log terms without 1/r terms; setting flagHI to 1 + +Self-explanatory. + E: Pair lubricateU/poly requires newton pair off Self-explanatory. diff --git a/src/FLD/pair_lubricate_poly.cpp b/src/FLD/pair_lubricate_poly.cpp index cb4e65d5a2..47909db667 100644 --- a/src/FLD/pair_lubricate_poly.cpp +++ b/src/FLD/pair_lubricate_poly.cpp @@ -476,8 +476,8 @@ void PairLubricatePoly::init_style() // check for fix deform, if exists it must use "remap v" // If box will change volume, set appropriate flag so that volume // and v.f. corrections are re-calculated at every step. - // - // If available volume is different from box volume + + // if available volume is different from box volume // due to walls, set volume appropriately; if walls will // move, set appropriate flag so that volume and v.f. corrections // are re-calculated at every step. diff --git a/src/FLD/pair_lubricate_poly.h b/src/FLD/pair_lubricate_poly.h index 28103b9f64..762d86f6e6 100644 --- a/src/FLD/pair_lubricate_poly.h +++ b/src/FLD/pair_lubricate_poly.h @@ -55,6 +55,10 @@ E: Pair lubricate/poly requires extended particles One of the particles has radius 0.0. +E: Using pair lubricate with inconsistent fix deform remap option + +Must use remap v option with fix deform with this pair style. + E: Using pair lubricate/poly with inconsistent fix deform remap option If fix deform is used, the remap v option is required. diff --git a/src/KSPACE/ewald.h b/src/KSPACE/ewald.h index fbeb812cb8..2e0c8b3aba 100644 --- a/src/KSPACE/ewald.h +++ b/src/KSPACE/ewald.h @@ -119,4 +119,12 @@ 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. +E: KSpace accuracy too large to estimate G vector + +UNDOCUMENTED + +E: Cannot (yet) use Kspace slab correction with compute group/group + +UNDOCUMENTED + */ diff --git a/src/KSPACE/pair_lj_cut_coul_long_tip4p.h b/src/KSPACE/pair_lj_cut_coul_long_tip4p.h index 008dd30140..b078ae75c2 100644 --- a/src/KSPACE/pair_lj_cut_coul_long_tip4p.h +++ b/src/KSPACE/pair_lj_cut_coul_long_tip4p.h @@ -57,6 +57,16 @@ class PairLJCutCoulLongTIP4P : public PairLJCutCoulLong { /* ERROR/WARNING messages: +E: TIP4P hydrogen is missing + +The TIP4P pairwise computation failed to find the correct H atom +within a water molecule. + +E: TIP4P hydrogen has incorrect atom type + +The TIP4P pairwise computation found an H atom whose type does not +agree with the specified H type. + E: Illegal ... command Self-explanatory. Check the input script syntax and compare to the @@ -92,14 +102,9 @@ E: Must use an angle style with TIP4P potential TIP4P potentials assume angles in water are constrained by a fix shake command. -E: TIP4P hydrogen is missing +E: Water H epsilon must be 0.0 for pair style lj/cut/coul/long/tip4p -The TIP4P pairwise computation failed to find the correct H atom -within a water molecule. - -E: TIP4P hydrogen has incorrect atom type - -The TIP4P pairwise computation found an H atom whose type does not -agree with the specified H type. +This is because LAMMPS does not compute the Lennard-Jones interactions +with these particles for efficiency reasons. */ diff --git a/src/KSPACE/pppm.h b/src/KSPACE/pppm.h index 6a51d68238..25407fb7fb 100644 --- a/src/KSPACE/pppm.h +++ b/src/KSPACE/pppm.h @@ -196,9 +196,9 @@ E: Incorrect boundaries with slab PPPM Must have periodic x,y dimensions and non-periodic z dimension to use 2d slab option with PPPM. -E: PPPM order cannot be greater than %d +E: PPPM order cannot be < 2 or > than %d -Self-explanatory. +This is a limitation of the PPPM implementation in LAMMPS. E: KSpace style is incompatible with Pair style @@ -245,6 +245,10 @@ to run, but can reduce the order no further. Try increasing the accuracy of PPPM by reducing the tolerance size, thus inducing a larger PPPM grid. +E: KSpace accuracy too large to estimate G vector + +UNDOCUMENTED + E: Cannot compute PPPM G LAMMPS failed to compute a valid approximation for the PPPM g_ewald @@ -266,4 +270,8 @@ outside a processor's sub-domain or even the entire simulation box. This indicates bad physics, e.g. due to highly overlapping atoms, too large a timestep, etc. +E: Cannot (yet) use K-space slab correction with compute group/group + +This option is not yet supported. + */ diff --git a/src/MANYBODY/pair_bop.h b/src/MANYBODY/pair_bop.h index 7aba29a9ea..593f4ce288 100644 --- a/src/MANYBODY/pair_bop.h +++ b/src/MANYBODY/pair_bop.h @@ -220,16 +220,59 @@ class PairBOP : public Pair { #endif #endif -/* ERROR/WARNING messages: E: BOP: Too many Atom Pairs -The number of atomic pairs exceeds the expected number. Check -your atomic structure to ensure that it is realistic. E: BOP: Too many Atom Triplets -The number of three atom groups for angle determinations -exceeds the expected number. Check your atomic structrure -to ensure that it is realistic. +*/ + +/* 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: Incorrect args for pair coefficients + +Self-explanatory. Check the input script or data file. + +E: Pair style BOP requires atom IDs + +This is a requirement to use the BOP potential. + +E: Pair style BOP requires newton pair on + +See the newton command. This is a restriction to use the BOP +potential. + +E: Pair style bop requires comm ghost cutoff at least 3x larger than %g + +Use the communicate ghost command to set this. See the pair bop +doc page for more details. + +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: Too many atom pairs for pair bop + +The number of atomic pairs exceeds the expected number. Check your +atomic structure to ensure that it is realistic. + +E: Too many atom triplets for pair bop + +The number of three atom groups for angle determinations exceeds the +expected number. Check your atomic structrure to ensure that it is +realistic. + +E: Cannot open BOP potential file %s + +The specified BOP potential file cannot be opened. Check that the +path and name are correct. + */ diff --git a/src/OPT/pair_lj_cut_coul_long_tip4p_opt.h b/src/OPT/pair_lj_cut_coul_long_tip4p_opt.h index 0b8df5e842..26257f08f8 100644 --- a/src/OPT/pair_lj_cut_coul_long_tip4p_opt.h +++ b/src/OPT/pair_lj_cut_coul_long_tip4p_opt.h @@ -51,4 +51,9 @@ E: TIP4P hydrogen is missing The TIP4P pairwise computation failed to find the correct H atom within a water molecule. +E: TIP4P hydrogen has incorrect atom type + +The atom LAMMPS assumes is a hydrogen bonded to a water oxygen, +is not the hydrogen type specified in the command. + */