混合精度 CG 特征值求解器的初步实现尝试#7417
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实现混合精度共轭梯度求解器，采用精度分离策略： float - H|ψ>/S|ψ> 矩阵向量乘 + 预条件器（计算密集型） double - 点积/特征值更新/正交化（精度敏感） ## 新增文件 (3) - source/source_hsolver/diago_cg_mixed.h 类型特征 + 类声明 - source/source_hsolver/diago_cg_mixed.cpp 核心实现 - source/source_hsolver/test/diago_cg_mixed_test.cpp 单元测试 ## 修改文件 (5) - source/source_hsolver/CMakeLists.txt 添加编译目标 - source/source_hsolver/hsolver_pw.cpp 添加 cg_mixed 方法 - source/source_hsolver/test/CMakeLists.txt 添加测试 - source/source_io/read_input_item_elec_stru.cpp ks_solver 白名单 - source/Makefile.Objects Intel make 构建支持 ## 使用 INPUT 中设置 ks_solver = cg_mixed ## 验证 9/9 CI 通过 | vs 双精度 CG 偏差 < 1e-7 eV
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实现混合精度共轭梯度求解器，采用精度分离策略：
float - H|ψ>/S|ψ> 矩阵向量乘 ， 预条件器
double - 点积，特征值更新，正交化
新增文件 3个
修改文件 5个
使用
INPUT 中设置 ks_solver = cg_mixed