diff --git a/src/USER-REAXC/fix_reaxc.cpp b/src/USER-REAXC/fix_reaxc.cpp index 361733f3ca..dc67ad6ffb 100644 --- a/src/USER-REAXC/fix_reaxc.cpp +++ b/src/USER-REAXC/fix_reaxc.cpp @@ -41,7 +41,7 @@ FixReaxC::FixReaxC(LAMMPS *lmp,int narg, char **arg) : { // perform initial allocation of atom-based arrays // register with atom class - + oldnmax = 0; num_bonds = NULL; num_hbonds = NULL; diff --git a/src/USER-REAXC/reaxc_ffield.cpp b/src/USER-REAXC/reaxc_ffield.cpp index 13e928ad08..9534637645 100644 --- a/src/USER-REAXC/reaxc_ffield.cpp +++ b/src/USER-REAXC/reaxc_ffield.cpp @@ -151,7 +151,7 @@ char Read_Force_Field( FILE *fp, reax_interaction *reax, /* Sanity checks */ if (c == 2 && !lgflag) control->error_ptr->all(FLERR, "Force field file requires using 'lgvdw yes'"); - + if (c < 9) { snprintf (errmsg, 1024, "Missing parameter(s) in line %s", s); control->error_ptr->all(FLERR, errmsg); @@ -320,7 +320,7 @@ char Read_Force_Field( FILE *fp, reax_interaction *reax, if (c == 2 && !lgflag) { control->error_ptr->all(FLERR, "Force field file requires using 'lgvdw yes'"); } - + l = atoi(tmp[0]); /* a line of comments */ diff --git a/src/USER-REAXC/reaxc_init_md.cpp b/src/USER-REAXC/reaxc_init_md.cpp index c1239e0cbb..39b31c38b5 100644 --- a/src/USER-REAXC/reaxc_init_md.cpp +++ b/src/USER-REAXC/reaxc_init_md.cpp @@ -236,21 +236,21 @@ void Initialize( reax_system *system, control_params *control, if (Init_Workspace( system, control, workspace, msg ) == FAILURE) { - control->error_ptr->one(FLERR,"Workspace could not be initialized"); + control->error_ptr->one(FLERR,"Workspace could not be initialized"); } if (Init_Lists( system, control, data, workspace, lists, mpi_data, msg ) == FAILURE) { - control->error_ptr->one(FLERR,"Lists could not be initialized"); + control->error_ptr->one(FLERR,"Lists could not be initialized"); } if (Init_Output_Files(system,control,out_control,mpi_data,msg)== FAILURE) { - control->error_ptr->one(FLERR,"Could not open output files"); + control->error_ptr->one(FLERR,"Could not open output files"); } if (control->tabulate) { if (Init_Lookup_Tables( system, control, workspace, mpi_data, msg ) == FAILURE) { - control->error_ptr->one(FLERR,"Lookup table could not be created"); + control->error_ptr->one(FLERR,"Lookup table could not be created"); } } diff --git a/src/USER-REAXC/reaxc_reset_tools.cpp b/src/USER-REAXC/reaxc_reset_tools.cpp index 5439ee33a4..e00656694c 100644 --- a/src/USER-REAXC/reaxc_reset_tools.cpp +++ b/src/USER-REAXC/reaxc_reset_tools.cpp @@ -144,7 +144,7 @@ void Reset_Neighbor_Lists( reax_system *system, control_params *control, if (total_bonds >= bonds->num_intrs * DANGER_ZONE) { workspace->realloc.bonds = 1; if (total_bonds >= bonds->num_intrs) { - char errmsg[256]; + char errmsg[256]; snprintf(errmsg, 256, "Not enough space for bonds! total=%d allocated=%d\n", total_bonds, bonds->num_intrs); control->error_ptr->one(FLERR, errmsg); @@ -170,7 +170,7 @@ void Reset_Neighbor_Lists( reax_system *system, control_params *control, if (total_hbonds >= hbonds->num_intrs * 0.90/*DANGER_ZONE*/) { workspace->realloc.hbonds = 1; if (total_hbonds >= hbonds->num_intrs) { - char errmsg[256]; + char errmsg[256]; snprintf(errmsg, 256, "Not enough space for hbonds! total=%d allocated=%d\n", total_hbonds, hbonds->num_intrs); control->error_ptr->one(FLERR, errmsg); diff --git a/src/USER-REAXC/reaxc_types.h b/src/USER-REAXC/reaxc_types.h index cdc2916a66..b05f655040 100644 --- a/src/USER-REAXC/reaxc_types.h +++ b/src/USER-REAXC/reaxc_types.h @@ -491,7 +491,7 @@ typedef struct int lgflag; int enobondsflag; class LAMMPS_NS::Error *error_ptr; - int me; + int me; } control_params;