From b30fdd69beb7893dabc1dd52be148ec60e747490 Mon Sep 17 00:00:00 2001 From: chn Date: Thu, 21 Sep 2023 12:09:54 +0800 Subject: [PATCH] bug fix --- main.cpp | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/main.cpp b/main.cpp index 097e371..54d1c76 100644 --- a/main.cpp +++ b/main.cpp @@ -172,6 +172,7 @@ int main(int argc, const char** argv) std::osyncstream(std::cerr) << fmt::format("\rCalculating projection coefficient...({}/{})", finished_qpoint, input.QPointData.size()) << std::flush; std::vector> projection_coefficient(qpoint_data.ModeData.size()); + // 这里, qpoint_data 和 projection_coefficient 均指对应于一个 q 点的数据 for (unsigned i_of_mode = 0; i_of_mode < qpoint_data.ModeData.size(); i_of_mode++) { auto& _ = projection_coefficient[i_of_mode]; @@ -261,7 +262,7 @@ int main(int argc, const char** argv) // YAML 输出得太丑了,我来自己写 std::cerr << "Writing output file..." << std::flush; - std::ofstream(argc > 3 ? argv[2] : argv[3]) << [&] + std::ofstream(argc > 3 ? argv[3] : argv[2]) << [&] { std::stringstream print; auto format = input.Debug.value_or(false) ? 10 : 3;