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added "likewise" as suggested by @sjplimp

This commit is contained in:
Axel Kohlmeyer 2019-10-11 17:19:47 +02:00
parent da56c7fc66
commit 29574eaa45
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GPG Key ID: D9B44E93BF0C375A
3 changed files with 30 additions and 30 deletions
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48
doc/src/Errors_warnings.txt
View File

@ -31,30 +31,6 @@ 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
@ -451,6 +427,30 @@ This library function cannot be used if atom IDs are not defined or
are not consecutively numbered, or if no atom map is defined. See the
atom_modify command for details about atom maps. :dd
{Likewise 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
{Likewise 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
{Likewise 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
{Lost atoms via change_box: original %ld current %ld} :dt
The command options you have used caused atoms to be lost. :dd

6
src/force.cpp
View File

@ -203,17 +203,17 @@ void Force::init()
if (!bond && (atom->nbonds > 0)) {
error->warning(FLERR,"Bonds are defined but no bond style is set");
if ((special_lj[1] != 1.0) || (special_coul[1] != 1.0))
error->warning(FLERR,"1-2 special neighbor interactions != 1.0");
error->warning(FLERR,"Likewise 1-2 special neighbor interactions != 1.0");
}
if (!angle && (atom->nangles > 0)) {
error->warning(FLERR,"Angles are defined but no angle style is set");
if ((special_lj[2] != 1.0) || (special_coul[2] != 1.0))
error->warning(FLERR,"1-3 special neighbor interactions != 1.0");
error->warning(FLERR,"Likewise 1-3 special neighbor interactions != 1.0");
}
if (!dihedral && (atom->ndihedrals > 0)) {
error->warning(FLERR,"Dihedrals are defined but no dihedral style is set");
if ((special_lj[3] != 1.0) || (special_coul[3] != 1.0))
error->warning(FLERR,"1-4 special neighbor interactions != 1.0");
error->warning(FLERR,"Likewise 1-4 special neighbor interactions != 1.0");
}
if (!improper && (atom->nimpropers > 0))
error->warning(FLERR,"Impropers are defined but no improper style is set");

6
src/force.h
View File

@ -246,7 +246,7 @@ 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
W: Likewise 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
@ -254,7 +254,7 @@ 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
W: Likewise 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
@ -262,7 +262,7 @@ 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
W: Likewise 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