diff --git a/src/REAXFF/reaxff_tool_box.cpp b/src/REAXFF/reaxff_tool_box.cpp index 5ea87ca769..550668197c 100644 --- a/src/REAXFF/reaxff_tool_box.cpp +++ b/src/REAXFF/reaxff_tool_box.cpp @@ -1,4 +1,3 @@ -// clang-format off /*---------------------------------------------------------------------- PuReMD - Purdue ReaxFF Molecular Dynamics Program @@ -35,69 +34,81 @@ namespace ReaxFF { - /* safe malloc */ - void *smalloc(LAMMPS_NS::Error *error_ptr, rc_bigint n, const std::string &name) - { - void *ptr; +/* safe malloc */ +void *smalloc(LAMMPS_NS::Error *error_ptr, rc_bigint n, const std::string &name) +{ + void *ptr; - if (n <= 0) { - 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); + if (n <= 0) { + 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); - return nullptr; - } - - ptr = malloc(n); - if (ptr == nullptr) { - 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); - } - - return ptr; + return nullptr; } - /* safe calloc */ - 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("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); - if (error_ptr) error_ptr->one(FLERR,errmsg); - else fputs(errmsg.c_str(),stderr); - return nullptr; - } - - ptr = calloc(n, size); - if (ptr == nullptr) { - 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); - } - - return ptr; + ptr = malloc(n); + if (ptr == nullptr) { + 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); } - /* safe free */ - void sfree(LAMMPS_NS::Error *error_ptr, void *ptr, const std::string &name) - { - if (ptr == nullptr) { - 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; - } - - free(ptr); - ptr = nullptr; - } + return ptr; } + +/* safe calloc */ +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("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); + if (error_ptr) + error_ptr->one(FLERR, errmsg); + else + fputs(errmsg.c_str(), stderr); + return nullptr; + } + + ptr = calloc(n, size); + if (ptr == nullptr) { + 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); + } + + return ptr; +} + +/* safe free */ +void sfree(LAMMPS_NS::Error *error_ptr, void *ptr, const std::string &name) +{ + if (ptr == nullptr) { + 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; + } + + free(ptr); + ptr = nullptr; +} +} // namespace ReaxFF