From 731847b4dccddc6fa22a31839e60155a294626e0 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Mon, 2 Sep 2024 21:21:14 -0400 Subject: [PATCH] report proper style name in error messages --- src/MOLECULE/pair_hbond_dreiding_lj.cpp | 10 +++++----- src/MOLECULE/pair_hbond_dreiding_morse.cpp | 10 +++++----- 2 files changed, 10 insertions(+), 10 deletions(-) diff --git a/src/MOLECULE/pair_hbond_dreiding_lj.cpp b/src/MOLECULE/pair_hbond_dreiding_lj.cpp index 274f8bc2a3a..4536cc8e05c 100644 --- a/src/MOLECULE/pair_hbond_dreiding_lj.cpp +++ b/src/MOLECULE/pair_hbond_dreiding_lj.cpp @@ -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 @@ -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 diff --git a/src/MOLECULE/pair_hbond_dreiding_morse.cpp b/src/MOLECULE/pair_hbond_dreiding_morse.cpp index c8bc0a627d1..d976b66460c 100644 --- a/src/MOLECULE/pair_hbond_dreiding_morse.cpp +++ b/src/MOLECULE/pair_hbond_dreiding_morse.cpp @@ -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 @@ -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