From b1e1b05e0bf6f72280e77861efef0aa7c0dd7000 Mon Sep 17 00:00:00 2001 From: Daniel Utt Date: Mon, 29 Apr 2024 13:51:26 +0200 Subject: [PATCH 1/3] Match dump_modify syntax for atom and custom dump styles --- src/dump_atom.cpp | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/src/dump_atom.cpp b/src/dump_atom.cpp index 293ade6229..15f083ede2 100644 --- a/src/dump_atom.cpp +++ b/src/dump_atom.cpp @@ -166,11 +166,11 @@ int DumpAtom::modify_param(int narg, char **arg) } if (strcmp(arg[0],"triclinic/general") == 0) { - triclinic_general = 1; + if (narg < 2) error->all(FLERR,"Illegal dump_modify command"); + triclinic_general = utils::logical(FLERR,arg[1],false,lmp); if (triclinic_general && !domain->triclinic_general) - error->all(FLERR,"Dump_modify triclinic/general cannot be used " - "if simulation box is not general triclinic"); - return 1; + error->all(FLERR,"Dump_modify triclinic/general invalid b/c simulation box is not"); + return 2; } return 0; From e9d22ec7f918a5bd98d773594c7150d0f63d57e6 Mon Sep 17 00:00:00 2001 From: Daniel Utt Date: Tue, 30 Apr 2024 09:19:03 +0200 Subject: [PATCH 2/3] Clarify error message --- src/dump_custom.cpp | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/src/dump_custom.cpp b/src/dump_custom.cpp index fb07efd561..431dd62fb7 100644 --- a/src/dump_custom.cpp +++ b/src/dump_custom.cpp @@ -1766,7 +1766,8 @@ int DumpCustom::modify_param(int narg, char **arg) if (narg < 2) error->all(FLERR,"Illegal dump_modify command"); triclinic_general = utils::logical(FLERR,arg[1],false,lmp); if (triclinic_general && !domain->triclinic_general) - error->all(FLERR,"Dump_modify triclinic/general invalid b/c simulation box is not"); + error->all(FLERR,"Dump_modify triclinic/general cannot be used " + "if simulation box is not general triclinic"); return 2; } From 149ffbb2b6f5934a1f4ccfafd2c989b084b3db46 Mon Sep 17 00:00:00 2001 From: Daniel Utt Date: Tue, 30 Apr 2024 09:20:19 +0200 Subject: [PATCH 3/3] Clarify error message --- src/dump_atom.cpp | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/src/dump_atom.cpp b/src/dump_atom.cpp index 15f083ede2..dfacf8f2da 100644 --- a/src/dump_atom.cpp +++ b/src/dump_atom.cpp @@ -169,7 +169,8 @@ int DumpAtom::modify_param(int narg, char **arg) if (narg < 2) error->all(FLERR,"Illegal dump_modify command"); triclinic_general = utils::logical(FLERR,arg[1],false,lmp); if (triclinic_general && !domain->triclinic_general) - error->all(FLERR,"Dump_modify triclinic/general invalid b/c simulation box is not"); + error->all(FLERR,"Dump_modify triclinic/general cannot be used " + "if simulation box is not general triclinic"); return 2; }