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Refactor: add alternatives to functions LOWF::gamma_file and `LOWF:…
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…:allocate_k` (#4331)

* add annotations

* create a new file to rewrite functionalities of LOWF

* seperate part of the function allocate_k into module_io

* row major or column major?

* add unittests

* move annotations from source file to header

* modify Makefile.Objects

* modify according to code review

* correct unittest

* update file for unittest

* enable the parallel version of `restart_from_file` and its unittest

* lower the precision in LOWF files

* [pre-commit.ci lite] apply automatic fixes

---------

Co-authored-by: Mohan Chen <[email protected]>
Co-authored-by: pre-commit-ci-lite[bot] <117423508+pre-commit-ci-lite[bot]@users.noreply.github.com>
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3 people committed Jun 13, 2024
1 parent 065cfb1 commit c557163
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Showing 13 changed files with 1,646 additions and 198 deletions.
1 change: 1 addition & 0 deletions source/Makefile.Objects
Original file line number Diff line number Diff line change
Expand Up @@ -478,6 +478,7 @@ OBJS_IO_LCAO=cal_r_overlap_R.o\
read_dm.o\
unk_overlap_lcao.o\
read_wfc_nao.o\
read_wfc_lcao.o\
write_wfc_nao.o\
write_HS_sparse.o\
single_R_io.o\
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