diff --git a/doc/src/Errors_warnings.txt b/doc/src/Errors_warnings.txt index fbd857f162..8d77f84af3 100644 --- a/doc/src/Errors_warnings.txt +++ b/doc/src/Errors_warnings.txt @@ -31,6 +31,30 @@ Doc page with "ERROR messages"_Errors_messages.html :dlb +{1-2 special neighbor interactions != 1.0} :dt + +The topology contains bonds, but there is no bond style defined +and a 1-2 special neighbor scaling factor was not 1.0. This +means that pair style interactions may have scaled or missing +pairs in the neighbor list in expectation of interactions for +those pairs being computed from the bond style. :dd + +{1-3 special neighbor interactions != 1.0} :dt + +The topology contains angles, but there is no angle style defined +and a 1-3 special neighbor scaling factor was not 1.0. This +means that pair style interactions may have scaled or missing +pairs in the neighbor list in expectation of interactions for +those pairs being computed from the angle style. :dd + +{1-4 special neighbor interactions != 1.0} :dt + +The topology contains dihedrals, but there is no dihedral style defined +and a 1-4 special neighbor scaling factor was not 1.0. This +means that pair style interactions may have scaled or missing +pairs in the neighbor list in expectation of interactions for +those pairs being computed from the dihedral style. :dd + {Adjusting Coulombic cutoff for MSM, new cutoff = %g} :dt The adjust/cutoff command is turned on and the Coulombic cutoff has been @@ -47,6 +71,11 @@ too far away. :dd Self-explanatory. :dd +{Angles are defined but no angle style is set} :dt + +The topology contains angles, but there are no angle forces computed +since there was no angle_style command. :dd + {Atom style in data file differs from currently defined atom style} :dt Self-explanatory. :dd @@ -73,6 +102,11 @@ short or the bond has blown apart and an atom is too far away. :dd Self-explanatory. :dd +{Bonds are defined but no bond style is set} :dt + +The topology contains bonds, but there are no bond forces computed +since there was no bond_style command. :dd + {Bond/angle/dihedral extent > half of periodic box length} :dt This is a restriction because LAMMPS can be confused about which image @@ -186,6 +220,11 @@ to check your simulation geometry. :dd Self-explanatory. :dd +{Dihedrals are defined but no dihedral style is set} :dt + +The topology contains dihedrals, but there are no dihedral forces computed +since there was no dihedral_style command. :dd + {Dump dcd/xtc timestamp may be wrong with fix dt/reset} :dt If the fix changes the timestep, the dump dcd file will not @@ -352,6 +391,11 @@ to check your simulation geometry. :dd Self-explanatory. :dd +{Impropers are defined but no improper style is set} :dt + +The topology contains impropers, but there are no improper forces computed +since there was no improper_style command. :dd + {Inconsistent image flags} :dt The image flags for a pair on bonded atoms appear to be inconsistent. diff --git a/doc/src/min_spin.txt b/doc/src/min_spin.txt index f5bdf428bb..89766891c8 100644 --- a/doc/src/min_spin.txt +++ b/doc/src/min_spin.txt @@ -17,8 +17,8 @@ min_style spin/lbfgs :pre [Examples:] -min_style spin/lbfgs -min_modify line spin_cubic discrete_factor 10.0 :pre +min_style spin/lbfgs +min_modify line spin_cubic discrete_factor 10.0 :pre [Description:] diff --git a/src/force.h b/src/force.h index 26a3ecdfb8..2185a2e64d 100644 --- a/src/force.h +++ b/src/force.h @@ -226,4 +226,48 @@ A command with an argument that specifies an integer or range of integers is using a value that is less than 1 or greater than the maximum allowed limit. +W: Bonds are defined but no bond style is set + +The topology contains bonds, but there are no bond forces computed +since there was no bond_style command. + +W: Angles are defined but no angle style is set + +The topology contains angles, but there are no angle forces computed +since there was no angle_style command. + +W: Dihedrals are defined but no dihedral style is set + +The topology contains dihedrals, but there are no dihedral forces computed +since there was no dihedral_style command. + +W: Impropers are defined but no improper style is set + +The topology contains impropers, but there are no improper forces computed +since there was no improper_style command. + +W: 1-2 special neighbor interactions != 1.0 + +The topology contains bonds, but there is no bond style defined +and a 1-2 special neighbor scaling factor was not 1.0. This +means that pair style interactions may have scaled or missing +pairs in the neighbor list in expectation of interactions for +those pairs being computed from the bond style. + +W: 1-3 special neighbor interactions != 1.0 + +The topology contains angles, but there is no angle style defined +and a 1-3 special neighbor scaling factor was not 1.0. This +means that pair style interactions may have scaled or missing +pairs in the neighbor list in expectation of interactions for +those pairs being computed from the angle style. + +W: 1-4 special neighbor interactions != 1.0 + +The topology contains dihedrals, but there is no dihedral style defined +and a 1-4 special neighbor scaling factor was not 1.0. This +means that pair style interactions may have scaled or missing +pairs in the neighbor list in expectation of interactions for +those pairs being computed from the dihedral style. + */