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bug fix

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This commit is contained in:
陈浩南 2023-09-21 12:09:54 +08:00
parent 70fead35c0
commit b30fdd69be
1 changed files with 2 additions and 1 deletions
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3
main.cpp
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@ -172,6 +172,7 @@ int main(int argc, const char** argv)
std::osyncstream(std::cerr) << fmt::format("\rCalculating projection coefficient...({}/{})", std::osyncstream(std::cerr) << fmt::format("\rCalculating projection coefficient...({}/{})",
finished_qpoint, input.QPointData.size()) << std::flush; finished_qpoint, input.QPointData.size()) << std::flush;
std::vector<std::vector<double>> projection_coefficient(qpoint_data.ModeData.size()); std::vector<std::vector<double>> 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++) for (unsigned i_of_mode = 0; i_of_mode < qpoint_data.ModeData.size(); i_of_mode++)
{ {
auto& _ = projection_coefficient[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 // YAML 输出得太丑了，我来自己写
std::cerr << "Writing output file..." << std::flush; 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; std::stringstream print;
auto format = input.Debug.value_or(false) ? 10 : 3; auto format = input.Debug.value_or(false) ? 10 : 3;