Commit 51ffb1f
abacus_fixer
Refactor: split fs_nonlocal_tools.cpp by functionality
Split the 827-line fs_nonlocal_tools.cpp into four functionally-cohesive
files:
- fs_nonlocal_tools.cpp (core): constructor, destructor, allocate_memory,
delete_memory, whole-class template instantiation
- fs_nonlocal_tools_vkb.cpp: cal_vkb, cal_becp, reduce_pool_becp
- fs_nonlocal_tools_stress.cpp: cal_vkb_deri_s, cal_dbecp_s, cal_stress
- fs_nonlocal_tools_force.cpp: cal_vkb_deri_f, cal_dbecp_f, save_vkb,
revert_vkb, transfer_gcar, cal_force
Each new file uses method-level explicit instantiation for the CPU
specialization. Update CMakeLists.txt.
Build verified: make -j 30 in build_max_para_test succeeds.
Tests verified: MODULE_PW_pw_test, MODULE_PW_pwdft_soc, onsite_op_test,
dftu_pw/core/operator, deltaspin_pw/core all pass.1 parent da9eb5b commit 51ffb1f
5 files changed
Lines changed: 757 additions & 656 deletions
File tree
- source/source_pw/module_pwdft
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