From adcd46da55303428ba26ee1846ad12b577c8bc8b Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Sebastian=20H=C3=BCtter?= Date: Wed, 6 Mar 2019 12:59:37 +0100 Subject: [PATCH] require an atom map for dynamical_matrix --- src/USER-PHONON/dynamical_matrix.cpp | 3 +++ 1 file changed, 3 insertions(+) diff --git a/src/USER-PHONON/dynamical_matrix.cpp b/src/USER-PHONON/dynamical_matrix.cpp index 372f4e4e31..c12bf6873e 100644 --- a/src/USER-PHONON/dynamical_matrix.cpp +++ b/src/USER-PHONON/dynamical_matrix.cpp @@ -138,6 +138,9 @@ void DynamicalMatrix::command(int narg, char **arg) else if (style == ESKM) options(narg-3,&arg[3]); //COME BACK else if (comm->me == 0 && screen) fprintf(screen,"Illegal Dynamical Matrix command\n"); + if (atom->map_style == 0) + error->all(FLERR,"Dynamical_matrix command requires an atom map, see atom_modify"); + // move atoms by 3-vector or specified variable(s) if (style == REGULAR) {