The independence of module_orbital is destroyed after I tore down GlobalC::ParaO and moved some of its functions ( parallel-division of LCAO-basis ) into class ORB_control ( see PR #735 to TDDFT branch ).
Now I want to recover its independence after my refactor. I would to do following steps:
- move all members of class
ORB_control into module_orbitals/ORB_control.cpp
- move
src_parallel/parallel_orbitals.h, .cpp into module_orbitals/
- move
src_pdiag/pdiag_common.h, .cpp, src_parallel/parallel_common.h, .cpp into module_base or module_orbital
- these two classes define MPI-interface and a struct
LocalMatrix used in hpseps, so maybe moving them into module_base is better ?
- finally, change all used GlobalC and GlobalV (such as ucell, ofs_running) in member functions of
ORB_control into parameters.
The independence of
module_orbitalis destroyed after I tore downGlobalC::ParaOand moved some of its functions ( parallel-division of LCAO-basis ) into classORB_control( see PR #735 toTDDFTbranch ).Now I want to recover its independence after my refactor. I would to do following steps:
ORB_controlintomodule_orbitals/ORB_control.cppsrc_parallel/parallel_orbitals.h, .cppintomodule_orbitals/src_pdiag/pdiag_common.h, .cpp,src_parallel/parallel_common.h, .cppintomodule_baseormodule_orbitalLocalMatrixused in hpseps, so maybe moving them intomodule_baseis better ?ORB_controlinto parameters.