diff --git a/src/CLASS2/dihedral_class2.h b/src/CLASS2/dihedral_class2.h index 96a04ab0db..cc1f13674e 100644 --- a/src/CLASS2/dihedral_class2.h +++ b/src/CLASS2/dihedral_class2.h @@ -59,7 +59,8 @@ class DihedralClass2 : public Dihedral { W: Dihedral problem: %d %ld %d %d %d %d -UNDOCUMENTED +Conformation of the 4 listed dihedral atoms is extreme; you may want +to check your simulation geometry. :dd E: Invalid coeffs for this dihedral style diff --git a/src/CLASS2/improper_class2.h b/src/CLASS2/improper_class2.h index 93be87e9c6..58508fda14 100644 --- a/src/CLASS2/improper_class2.h +++ b/src/CLASS2/improper_class2.h @@ -54,7 +54,8 @@ class ImproperClass2 : public Improper { W: Improper problem: %d %ld %d %d %d %d -UNDOCUMENTED +Conformation of the 4 listed improper atoms is extreme; you may want +to check your simulation geometry. :dd E: Incorrect args for improper coefficients diff --git a/src/MOLECULE/bond_fene.h b/src/MOLECULE/bond_fene.h index ff6112d84c..88f50952c4 100644 --- a/src/MOLECULE/bond_fene.h +++ b/src/MOLECULE/bond_fene.h @@ -53,7 +53,8 @@ class BondFENE : public Bond { W: FENE bond too long: %ld %d %d %g -UNDOCUMENTED +A FENE bond has stretched dangerously far. It's interaction strength +will be truncated to attempt to prevent the bond from blowing up. :dd E: Bad FENE bond @@ -70,6 +71,7 @@ Most FENE models need this setting for the special_bonds command. W: FENE bond too long: %ld %g -UNDOCUMENTED +A FENE bond has stretched dangerously far. It's interaction strength +will be truncated to attempt to prevent the bond from blowing up. :dd */ diff --git a/src/MOLECULE/bond_fene_expand.h b/src/MOLECULE/bond_fene_expand.h index 4c51067380..bae8a73273 100644 --- a/src/MOLECULE/bond_fene_expand.h +++ b/src/MOLECULE/bond_fene_expand.h @@ -53,7 +53,8 @@ class BondFENEExpand : public Bond { W: FENE bond too long: %ld %d %d %g -UNDOCUMENTED +A FENE bond has stretched dangerously far. It's interaction strength +will be truncated to attempt to prevent the bond from blowing up. :dd E: Bad FENE bond @@ -70,6 +71,7 @@ Most FENE models need this setting for the special_bonds command. W: FENE bond too long: %ld %g -UNDOCUMENTED +A FENE bond has stretched dangerously far. It's interaction strength +will be truncated to attempt to prevent the bond from blowing up. :dd */ diff --git a/src/MOLECULE/dihedral_charmm.h b/src/MOLECULE/dihedral_charmm.h index 3055b27035..44a93357f5 100644 --- a/src/MOLECULE/dihedral_charmm.h +++ b/src/MOLECULE/dihedral_charmm.h @@ -53,7 +53,8 @@ class DihedralCharmm : public Dihedral { W: Dihedral problem: %d %ld %d %d %d %d -UNDOCUMENTED +Conformation of the 4 listed dihedral atoms is extreme; you may want +to check your simulation geometry. :dd E: Incorrect args for dihedral coefficients diff --git a/src/MOLECULE/dihedral_harmonic.h b/src/MOLECULE/dihedral_harmonic.h index 3952442053..ce78bcd992 100644 --- a/src/MOLECULE/dihedral_harmonic.h +++ b/src/MOLECULE/dihedral_harmonic.h @@ -50,7 +50,8 @@ class DihedralHarmonic : public Dihedral { W: Dihedral problem: %d %ld %d %d %d %d -UNDOCUMENTED +Conformation of the 4 listed dihedral atoms is extreme; you may want +to check your simulation geometry. :dd E: Incorrect args for dihedral coefficients diff --git a/src/MOLECULE/dihedral_helix.h b/src/MOLECULE/dihedral_helix.h index b604f056d4..6f254ad948 100644 --- a/src/MOLECULE/dihedral_helix.h +++ b/src/MOLECULE/dihedral_helix.h @@ -49,7 +49,8 @@ class DihedralHelix : public Dihedral { W: Dihedral problem: %d %ld %d %d %d %d -UNDOCUMENTED +Conformation of the 4 listed dihedral atoms is extreme; you may want +to check your simulation geometry. :dd E: Incorrect args for dihedral coefficients diff --git a/src/MOLECULE/dihedral_multi_harmonic.h b/src/MOLECULE/dihedral_multi_harmonic.h index e06fd6ad70..8ba96dc0c9 100644 --- a/src/MOLECULE/dihedral_multi_harmonic.h +++ b/src/MOLECULE/dihedral_multi_harmonic.h @@ -49,7 +49,8 @@ class DihedralMultiHarmonic : public Dihedral { W: Dihedral problem: %d %ld %d %d %d %d -UNDOCUMENTED +Conformation of the 4 listed dihedral atoms is extreme; you may want +to check your simulation geometry. :dd E: Incorrect args for dihedral coefficients diff --git a/src/MOLECULE/dihedral_opls.h b/src/MOLECULE/dihedral_opls.h index d72e589f98..887507324e 100644 --- a/src/MOLECULE/dihedral_opls.h +++ b/src/MOLECULE/dihedral_opls.h @@ -49,7 +49,8 @@ class DihedralOPLS : public Dihedral { W: Dihedral problem: %d %ld %d %d %d %d -UNDOCUMENTED +Conformation of the 4 listed dihedral atoms is extreme; you may want +to check your simulation geometry. :dd E: Incorrect args for dihedral coefficients diff --git a/src/MOLECULE/improper_cvff.h b/src/MOLECULE/improper_cvff.h index b081d4d09d..410522952f 100644 --- a/src/MOLECULE/improper_cvff.h +++ b/src/MOLECULE/improper_cvff.h @@ -50,7 +50,8 @@ class ImproperCvff : public Improper { W: Improper problem: %d %ld %d %d %d %d -UNDOCUMENTED +Conformation of the 4 listed improper atoms is extreme; you may want +to check your simulation geometry. :dd E: Incorrect args for improper coefficients diff --git a/src/MOLECULE/improper_harmonic.h b/src/MOLECULE/improper_harmonic.h index aa6642b9f4..5e5c0bf22a 100644 --- a/src/MOLECULE/improper_harmonic.h +++ b/src/MOLECULE/improper_harmonic.h @@ -49,7 +49,8 @@ class ImproperHarmonic : public Improper { W: Improper problem: %d %ld %d %d %d %d -UNDOCUMENTED +Conformation of the 4 listed improper atoms is extreme; you may want +to check your simulation geometry. :dd E: Incorrect args for improper coefficients diff --git a/src/MOLECULE/improper_umbrella.h b/src/MOLECULE/improper_umbrella.h index fb549f6a86..6a566d606d 100644 --- a/src/MOLECULE/improper_umbrella.h +++ b/src/MOLECULE/improper_umbrella.h @@ -49,7 +49,8 @@ class ImproperUmbrella : public Improper { W: Improper problem: %d %ld %d %d %d %d -UNDOCUMENTED +Conformation of the 4 listed improper atoms is extreme; you may want +to check your simulation geometry. :dd E: Incorrect args for improper coefficients diff --git a/src/SHOCK/fix_append_atoms.cpp b/src/SHOCK/fix_append_atoms.cpp index 39e7a7c091..4a87d616f6 100644 --- a/src/SHOCK/fix_append_atoms.cpp +++ b/src/SHOCK/fix_append_atoms.cpp @@ -394,7 +394,7 @@ void FixAppendAtoms::pre_exchange() nbasis = domain->lattice->nbasis; basistype = new int[nbasis]; for (int i = 0; i < nbasis; i++) basistype[i] = 1; - } else error->all(FLERR,"must define lattice to append_atoms"); + } else error->all(FLERR,"Must define lattice to append_atoms"); double bboxlo[3],bboxhi[3]; diff --git a/src/SHOCK/fix_append_atoms.h b/src/SHOCK/fix_append_atoms.h index 7ae2da37c0..cdd9428405 100644 --- a/src/SHOCK/fix_append_atoms.h +++ b/src/SHOCK/fix_append_atoms.h @@ -95,7 +95,11 @@ E: Fix ID for fix ave/spatial does not exist Self-explanatory. -E: must define lattice to append_atoms +E: Must define lattice to append_atoms + +UNDOCUMENTED + +U: must define lattice to append_atoms UNDOCUMENTED diff --git a/src/dump_cfg.h b/src/dump_cfg.h index 858e0697e6..0f3c35e33b 100755 --- a/src/dump_cfg.h +++ b/src/dump_cfg.h @@ -50,7 +50,7 @@ class DumpCFG : public DumpCustom { E: Dump cfg arguments must start with 'id type xs ys zs' or 'id type xsu ysu zsu' -UNDOCUMENTED +This is a requirement of the CFG output format. :dd E: Dump cfg arguments can not mix xs|ys|zs with xsu|ysu|zsu diff --git a/src/fix_shake.h b/src/fix_shake.h index fdfe23d3e7..a0727b7cbc 100644 --- a/src/fix_shake.h +++ b/src/fix_shake.h @@ -179,15 +179,21 @@ types for the 2 bonds in the angle. E: Shake atoms %d %d missing on proc %d at step %ld -UNDOCUMENTED +The 2 atoms in a single shake cluster specified by the fix shake +command are not all accessible to a processor. This probably means +an atom has moved too far. :dd E: Shake atoms %d %d %d missing on proc %d at step %ld -UNDOCUMENTED +The 3 atoms in a single shake cluster specified by the fix shake +command are not all accessible to a processor. This probably means +an atom has moved too far. :dd E: Shake atoms %d %d %d %d missing on proc %d at step %ld -UNDOCUMENTED +The 4 atoms in a single shake cluster specified by the fix shake +command are not all accessible to a processor. This probably means +an atom has moved too far. :dd E: Did not find fix shake partner info diff --git a/src/memory.h b/src/memory.h index e47dad97c3..0073be189f 100644 --- a/src/memory.h +++ b/src/memory.h @@ -484,11 +484,13 @@ class Memory : protected Pointers { E: Failed to allocate %ld bytes for array %s -UNDOCUMENTED +Your LAMMPS simulation has run out of memory. You need to run a +smaller simulation or on more processors. :dd E: Failed to reallocate %ld bytes for array %s -UNDOCUMENTED +Your LAMMPS simulation has run out of memory. You need to run a +smaller simulation or on more processors. :dd E: Cannot create/grow a vector/array of pointers for %s diff --git a/src/neigh_bond.h b/src/neigh_bond.h index 351810f5a1..c698aad115 100644 --- a/src/neigh_bond.h +++ b/src/neigh_bond.h @@ -15,18 +15,30 @@ E: Bond atoms %d %d missing on proc %d at step %ld -UNDOCUMENTED +One or both of 2 atoms needed to compute a particular bond are +missing on this processor. Typically this is because the pairwise +cutoff is set too short or the bond has blown apart and an atom is +too far away. :dd E: Angle atoms %d %d %d missing on proc %d at step %ld -UNDOCUMENTED +One or more of 3 atoms needed to compute a particular angle are +missing on this processor. Typically this is because the pairwise +cutoff is set too short or the angle has blown apart and an atom is +too far away. :dd E: Dihedral atoms %d %d %d %d missing on proc %d at step %ld -UNDOCUMENTED +One or more of 4 atoms needed to compute a particular dihedral are +missing on this processor. Typically this is because the pairwise +cutoff is set too short or the dihedral has blown apart and an atom is +too far away. :dd E: Improper atoms %d %d %d %d missing on proc %d at step %ld -UNDOCUMENTED +One or more of 4 atoms needed to compute a particular improper are +missing on this processor. Typically this is because the pairwise +cutoff is set too short or the improper has blown apart and an atom is +too far away. :dd */