diff --git a/src/REAXFF/reaxff_api.h b/src/REAXFF/reaxff_api.h index ae3b013541..540012ab8f 100644 --- a/src/REAXFF/reaxff_api.h +++ b/src/REAXFF/reaxff_api.h @@ -141,9 +141,9 @@ namespace ReaxFF // toolbox - extern void *scalloc(LAMMPS_NS::Error *, rc_bigint, rc_bigint, const char *); - extern void *smalloc(LAMMPS_NS::Error *, rc_bigint, const char *); - extern void sfree(LAMMPS_NS::Error *, void *, const char *); + extern void *scalloc(LAMMPS_NS::Error *, rc_bigint, rc_bigint, const std::string &); + extern void *smalloc(LAMMPS_NS::Error *, rc_bigint, const std::string &); + extern void sfree(LAMMPS_NS::Error *, void *, const std::string &); // torsion angles diff --git a/src/REAXFF/reaxff_tool_box.cpp b/src/REAXFF/reaxff_tool_box.cpp index 15ad4b85e3..5ea87ca769 100644 --- a/src/REAXFF/reaxff_tool_box.cpp +++ b/src/REAXFF/reaxff_tool_box.cpp @@ -36,13 +36,12 @@ namespace ReaxFF { /* safe malloc */ - void *smalloc(LAMMPS_NS::Error *error_ptr, rc_bigint n, const char *name) + void *smalloc(LAMMPS_NS::Error *error_ptr, rc_bigint n, const std::string &name) { void *ptr; if (n <= 0) { - auto errmsg = fmt::format("Trying to allocate {} bytes for array {}. " - "returning NULL.", n, name); + auto errmsg = fmt::format("Invalid size {} for array {}. Returning NULL.", n, name); if (error_ptr) error_ptr->one(FLERR,errmsg); else fputs(errmsg.c_str(),stderr); @@ -51,8 +50,7 @@ namespace ReaxFF { ptr = malloc(n); if (ptr == nullptr) { - auto errmsg = fmt::format("Failed to allocate {} bytes for array {}", - n, name); + auto errmsg = fmt::format("Failed to allocate {} bytes for array {}", n, name); if (error_ptr) error_ptr->one(FLERR,errmsg); else fputs(errmsg.c_str(),stderr); } @@ -61,21 +59,19 @@ namespace ReaxFF { } /* safe calloc */ - void *scalloc(LAMMPS_NS::Error *error_ptr, rc_bigint n, rc_bigint size, const char *name) + void *scalloc(LAMMPS_NS::Error *error_ptr, rc_bigint n, rc_bigint size, const std::string &name) { void *ptr; if (n <= 0) { - auto errmsg = fmt::format("Trying to allocate {} elements for array {}. " - "returning NULL.\n", n, name); + auto errmsg = fmt::format("Invalid size {} for array {}. Returning NULL.\n", n, name); if (error_ptr) error_ptr->one(FLERR,errmsg); else fputs(errmsg.c_str(),stderr); return nullptr; } if (size <= 0) { - auto errmsg = fmt::format("Elements size for array {} is {}. " - "returning NULL", name, size); + auto errmsg = fmt::format("Elements size for array {} is {}. Returning NULL", name, size); if (error_ptr) error_ptr->one(FLERR,errmsg); else fputs(errmsg.c_str(),stderr); return nullptr; @@ -83,8 +79,7 @@ namespace ReaxFF { ptr = calloc(n, size); if (ptr == nullptr) { - auto errmsg = fmt::format("Failed to allocate {} bytes for array {}", - n*size, name); + auto errmsg = fmt::format("Failed to allocate {} bytes for array {}", n*size, name); if (error_ptr) error_ptr->one(FLERR,errmsg); else fputs(errmsg.c_str(),stderr); } @@ -93,12 +88,11 @@ namespace ReaxFF { } /* safe free */ - void sfree(LAMMPS_NS::Error* error_ptr, void *ptr, const char *name) + void sfree(LAMMPS_NS::Error *error_ptr, void *ptr, const std::string &name) { if (ptr == nullptr) { - auto errmsg = fmt::format("Trying to free the already free()'d pointer {}", - name); - if (error_ptr) error_ptr->one(FLERR,errmsg); + auto errmsg = std::string("Trying to free the already free()'d pointer: ") + name; + if (error_ptr) error_ptr->one(FLERR, errmsg); else fputs(errmsg.c_str(),stderr); return; }