diff --git a/src/pair_table.cpp b/src/pair_table.cpp index f15d5a2cea..7130a39b26 100644 --- a/src/pair_table.cpp +++ b/src/pair_table.cpp @@ -359,14 +359,13 @@ double PairTable::init_one(int i, int j) void PairTable::read_table(Table *tb, char *file, char *keyword) { - TableFileReader reader(lmp, file, "pair"); + TableFileReader reader(lmp, file, "pair", unit_convert_flag); // transparently convert units for supported conversions int unit_convert = reader.get_unit_convert(); double conversion_factor = utils::get_conversion_factor(utils::ENERGY, unit_convert); - char *line = reader.find_section_start(keyword); if (!line) { diff --git a/src/potential_file_reader.cpp b/src/potential_file_reader.cpp index 924af94eb3..e2b3909ace 100644 --- a/src/potential_file_reader.cpp +++ b/src/potential_file_reader.cpp @@ -145,7 +145,7 @@ std::string PotentialFileReader::next_string() { return ""; } -TextFileReader * PotentialFileReader::open_potential(const std::string& path) { +TextFileReader *PotentialFileReader::open_potential(const std::string &path) { std::string filepath = utils::get_potential_file_path(path); if (!filepath.empty()) { @@ -153,23 +153,24 @@ TextFileReader * PotentialFileReader::open_potential(const std::string& path) { std::string date = utils::get_potential_date(filepath, filetype); std::string units = utils::get_potential_units(filepath, filetype); - if (!date.empty()) { - utils::logmesg(lmp, fmt::format("Reading potential file {} with DATE: {}\n", filename, date)); - } + if (!date.empty()) + utils::logmesg(lmp, fmt::format("Reading {} file {} with DATE: {}\n", + filetype, filename, date)); if (units.empty()) { - unit_convert == utils::NOCONVERT; + unit_convert = utils::NOCONVERT; } else { if (units == unit_style) { unit_convert = utils::NOCONVERT; } else { - if ((units == "metal") && (unit_style == "real") && (unit_convert | utils::METAL2REAL)) { + if ((units == "metal") && (unit_style == "real") && (unit_convert & utils::METAL2REAL)) { unit_convert = utils::METAL2REAL; - } else if ((units == "real") && (unit_style == "metal") && (unit_convert | utils::REAL2METAL)) { + } else if ((units == "real") && (unit_style == "metal") && (unit_convert & utils::REAL2METAL)) { unit_convert = utils::REAL2METAL; } else { - lmp->error->one(FLERR, fmt::format("Potential file {} requires {} units " - "but {} units are in use",filename, units, unit_style)); + lmp->error->one(FLERR, fmt::format("{} file {} requires {} units " + "but {} units are in use", filetype, + filename, units, unit_style)); } } }