Fix dependency cycles #6902
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Fix dependency cycles #6902
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1. Remove #ifdef __MPI from timer code, encapsulate in timer_wrapper.h 2. Move ESolver clean logic to after_all_runners method 3. Replace clean_esolver calls with direct delete p_esolver 4. Remove #ifdef __MPI from delete p_esolver 5. Add Cblacs_exit(1) in after_all_runners for LCAO calculations
…cture - Added detailed English comments to cal_HR_exx function - Moved implementation to cpp file and added explicit instantiations - Improved header file organization with sections - Removed unnecessary LCAO_hamilt.hpp include - Enhanced endif comments for better code readability
The LCAO_hamilt.hpp file was empty after moving its implementation to spar_exx.cpp. This commit removes the unused header file and updates all references to it.
- Removed #include xc_functional.h from exx_info.h - Removed #include exx_info.h from xc_functional.h This breaks the circular dependency between these two header files, allowing them to compile independently.
- Removed unnecessary #include source_lcao/hamilt_lcao.h from spar_dh.h, spar_hsr.h, and spar_u.h - Added direct dependencies to spar_dh.h: matrix.h, parallel_orbitals.h, two_center_bundle.h, ORB_read.h - Adjusted include order in spar_hsr.h and spar_u.h - Added necessary include to spar_hsr.cpp for HamiltLCAO access
- Added xc_functional.h include to esolver_ks_pw.cpp for XC_Functional class access - Added xc_functional.h include to input_conv.cpp for XC_Functional class access - Added parallel_comm.h include to op_exx_pw.cpp for KP_WORLD communication - Added global_variable.h and exx_info.h includes to stress_pw.cpp for GlobalC namespace access These changes fix compilation errors caused by the dependency refactoring.
mohanchen
added
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Fix dependency cycles