From b6d10cd3942421c23a25aeebd7dd0049e84df009 Mon Sep 17 00:00:00 2001
From: chn <chn@chn.moe>
Date: Wed, 27 Sep 2023 21:20:04 +0800
Subject: [PATCH] bug fix

---
 include/ufo/ufo.impl.hpp | 22 +++++++++++-----------
 src/ufo.cpp              | 10 +++++-----
 2 files changed, 16 insertions(+), 16 deletions(-)

diff --git a/include/ufo/ufo.impl.hpp b/include/ufo/ufo.impl.hpp
index dfa0794..e3282c4 100644
--- a/include/ufo/ufo.impl.hpp
+++ b/include/ufo/ufo.impl.hpp
@@ -211,18 +211,18 @@ inline void Output::write(std::string filename, std::string format, unsigned per
             frequency_to_weight.erase(it_lower, it_upper);
             frequency_to_weight[frequency_sum / weight_sum] = weight_sum;
           }
-          auto& _ = output.QPointData.emplace_back();
-          _.QPoint = qpoint->QPoint;
-          _.Source = qpoint->Source;
-          _.SourceIndex_ = qpoint->SourceIndex_;
-          for (auto [frequency, weight] : frequency_to_weight)
-            if (weight > 0.1)
-            {
-              auto& __ = _.ModeData.emplace_back();
-              __.Frequency = frequency;
-              __.Weight = weight;
-            }
         }
+        auto& _ = output.QPointData.emplace_back();
+        _.QPoint = qpoint->QPoint;
+        _.Source = qpoint->Source;
+        _.SourceIndex_ = qpoint->SourceIndex_;
+        for (auto [frequency, weight] : frequency_to_weight)
+          if (weight > 0.1)
+          {
+            auto& __ = _.ModeData.emplace_back();
+            __.Frequency = frequency;
+            __.Weight = weight;
+          }
       }
     output.write(filename, "yaml", 3);
   }
diff --git a/src/ufo.cpp b/src/ufo.cpp
index 37bde3a..b73e8a6 100644
--- a/src/ufo.cpp
+++ b/src/ufo.cpp
@@ -7,7 +7,7 @@ int main(int argc, const char** argv)
 
   std::cerr << "Reading input file..." << std::flush;
   Input input(argv[1]);
-  std::cerr << "Done." << std::endl;
+  std::cerr << " Done." << std::endl;
 
   // 反折叠的原理: 将超胞中的原子运动状态, 投影到一组平面波构成的基矢中.
   // 每一个平面波的波矢由两部分相加得到: 一部分是单胞倒格子的整数倍, 所取的个数有一定任意性, 论文中建议取大约单胞中原子个数那么多个;
@@ -56,7 +56,7 @@ int main(int argc, const char** argv)
     std::execution::par, input.QPointData.begin(), input.QPointData.end(),
     projection_coefficient.begin(), [&](const auto& qpoint_data)
   {
-    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;
     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
@@ -81,7 +81,7 @@ int main(int argc, const char** argv)
       finished_qpoint, input.QPointData.size()) << std::flush;
     return projection_coefficient;
   });
-  std::cerr << "Done." << std::endl;
+  std::cerr << " Done." << std::endl;
 
   // 填充输出对象
   std::cerr << "Filling output object..." << std::flush;
@@ -166,10 +166,10 @@ int main(int argc, const char** argv)
       }
     }
   }
-  std::cerr << "Done." << std::endl;
+  std::cerr << " Done." << std::endl;
 
   std::cerr << "Writing output file..." << std::flush;
   for (auto& output_file : input.QPointDataOutputFile)
     output.write(output_file.FileName, output_file.Format);
-  std::cerr << "Done." << std::endl;
+  std::cerr << " Done." << std::endl;
 }