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Required newton on for pair styles body rounded/polygon and rounded/polyhedron

This commit is contained in:
Trung Nguyen 2018-07-12 10:21:06 -05:00
parent c3a32dde12
commit 21f749243a
4 changed files with 8 additions and 6 deletions
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3
doc/src/pair_body_rounded_polygon.txt
View File

@ -93,9 +93,6 @@ These pair styles are part of the BODY package. They are only enabled
if LAMMPS was built with that package. See the "Making if LAMMPS was built with that package. See the "Making
LAMMPS"_Section_start.html#start_3 section for more info. LAMMPS"_Section_start.html#start_3 section for more info.
NOTE: is there a newton on or off requirement for using this pair style?
If so, say something like this:
This pair style requires the "newton"_newton.html setting to be "on" This pair style requires the "newton"_newton.html setting to be "on"
for pair interactions. for pair interactions.

3
doc/src/pair_body_rounded_polyhedron.txt
View File

@ -94,9 +94,6 @@ These pair styles are part of the BODY package. They are only enabled
if LAMMPS was built with that package. See the "Making if LAMMPS was built with that package. See the "Making
LAMMPS"_Section_start.html#start_3 section for more info. LAMMPS"_Section_start.html#start_3 section for more info.
NOTE: is there a newton on or off requirement for using this pair style?
If so, say something like this:
This pair style requires the "newton"_newton.html setting to be "on" This pair style requires the "newton"_newton.html setting to be "on"
for pair interactions. for pair interactions.

4
src/BODY/pair_body_rounded_polygon.cpp
View File

@ -428,6 +428,10 @@ void PairBodyRoundedPolygon::init_style()
"body style rounded/polygon"); "body style rounded/polygon");
bptr = (BodyRoundedPolygon *) avec->bptr; bptr = (BodyRoundedPolygon *) avec->bptr;
if (force->newton_pair == 0)
error->all(FLERR,"Pair style body/rounded/polygon requires "
"newton pair on");
if (comm->ghost_velocity == 0) if (comm->ghost_velocity == 0)
error->all(FLERR,"Pair body/rounded/polygon requires " error->all(FLERR,"Pair body/rounded/polygon requires "
"ghost atoms store velocity"); "ghost atoms store velocity");

4
src/BODY/pair_body_rounded_polyhedron.cpp
View File

@ -400,6 +400,10 @@ void PairBodyRoundedPolyhedron::init_style()
"body style rounded/polyhedron"); "body style rounded/polyhedron");
bptr = (BodyRoundedPolyhedron *) avec->bptr; bptr = (BodyRoundedPolyhedron *) avec->bptr;
if (force->newton_pair == 0)
error->all(FLERR,"Pair style body/rounded/polyhedron requires "
"newton pair on");
if (comm->ghost_velocity == 0) if (comm->ghost_velocity == 0)
error->all(FLERR,"Pair body/rounded/polyhedron requires " error->all(FLERR,"Pair body/rounded/polyhedron requires "
"ghost atoms store velocity"); "ghost atoms store velocity");