Loading doc/src/Errors_warnings.txt +44 −0 Original line number Diff line number Diff line Loading @@ -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 Loading @@ -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 Loading @@ -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 Loading Loading @@ -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 Loading Loading @@ -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. Loading src/force.h +44 −0 Original line number Diff line number Diff line Loading @@ -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. */ doc/src/min_spin.txt +2 −2 File changed.Contains only whitespace changes. Show changes Loading
doc/src/Errors_warnings.txt +44 −0 Original line number Diff line number Diff line Loading @@ -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 Loading @@ -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 Loading @@ -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 Loading Loading @@ -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 Loading Loading @@ -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. Loading
src/force.h +44 −0 Original line number Diff line number Diff line Loading @@ -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. */
