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report proper style name in error messages
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akohlmey committed Sep 3, 2024
1 parent 7c80b00 commit 731847b
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Showing 2 changed files with 10 additions and 10 deletions.
10 changes: 5 additions & 5 deletions src/MOLECULE/pair_hbond_dreiding_lj.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -396,14 +396,14 @@ void PairHbondDreidingLJ::init_style()
// and computing forces on A,H which may be on different procs

if (atom->molecular == Atom::ATOMIC)
error->all(FLERR,"Pair style hbond/dreiding requires molecular system");
error->all(FLERR,"Pair style hbond/dreiding/lj requires molecular system");
if (atom->tag_enable == 0)
error->all(FLERR,"Pair style hbond/dreiding requires atom IDs");
error->all(FLERR,"Pair style hbond/dreiding/lj requires atom IDs");
if (atom->map_style == Atom::MAP_NONE)
error->all(FLERR,"Pair style hbond/dreiding requires an atom map, "
error->all(FLERR,"Pair style hbond/dreiding/lj requires an atom map, "
"see atom_modify");
if (force->newton_pair == 0)
error->all(FLERR,"Pair style hbond/dreiding requires newton pair on");
error->all(FLERR,"Pair style hbond/dreiding/lj requires newton pair on");

// set donor[M]/acceptor[M] if any atom of type M is a donor/acceptor

Expand All @@ -419,7 +419,7 @@ void PairHbondDreidingLJ::init_style()
acceptor[j] = 1;
}

if (!anyflag) error->all(FLERR,"No pair hbond/dreiding coefficients set");
if (!anyflag) error->all(FLERR,"No pair hbond/dreiding/lj coefficients set");

// set additional param values
// offset is for LJ only, angle term is not included
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10 changes: 5 additions & 5 deletions src/MOLECULE/pair_hbond_dreiding_morse.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -323,14 +323,14 @@ void PairHbondDreidingMorse::init_style()
// and computing forces on A,H which may be on different procs

if (atom->molecular == Atom::ATOMIC)
error->all(FLERR,"Pair style hbond/dreiding requires molecular system");
error->all(FLERR,"Pair style hbond/dreiding/morse requires molecular system");
if (atom->tag_enable == 0)
error->all(FLERR,"Pair style hbond/dreiding requires atom IDs");
error->all(FLERR,"Pair style hbond/dreiding/morse requires atom IDs");
if (atom->map_style == Atom::MAP_NONE)
error->all(FLERR,"Pair style hbond/dreiding requires an atom map, "
error->all(FLERR,"Pair style hbond/dreiding/morse requires an atom map, "
"see atom_modify");
if (force->newton_pair == 0)
error->all(FLERR,"Pair style hbond/dreiding requires newton pair on");
error->all(FLERR,"Pair style hbond/dreiding/morse requires newton pair on");

// set donor[M]/acceptor[M] if any atom of type M is a donor/acceptor

Expand All @@ -346,7 +346,7 @@ void PairHbondDreidingMorse::init_style()
acceptor[j] = 1;
}

if (!anyflag) error->all(FLERR,"No pair hbond/dreiding coefficients set");
if (!anyflag) error->all(FLERR,"No pair hbond/dreiding/morse coefficients set");

// set additional param values
// offset is for Morse only, angle term is not included
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