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Refactor: remove Kubo-Greenwood and DOS functions from esolver (#4355)
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* Fix: makefile cannot compile tests in module_pw

* Refactor: remove some functions from esolver
mv Kubo-Greenwood and DOS functions to specific classes

* fix when merge

* fix wrong use of sKG

* change pointer to vector

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

* update results

* merge

---------

Co-authored-by: pre-commit-ci-lite[bot] <117423508+pre-commit-ci-lite[bot]@users.noreply.github.com>
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Qianruipku and pre-commit-ci-lite[bot] authored Jun 14, 2024
1 parent 156dac2 commit 7354d23
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Showing 21 changed files with 2,087 additions and 2,476 deletions.
6 changes: 4 additions & 2 deletions source/Makefile.Objects
Original file line number Diff line number Diff line change
Expand Up @@ -210,9 +210,7 @@ OBJS_ESOLVER=esolver.o\
esolver_ks.o\
esolver_fp.o\
esolver_ks_pw.o\
esolver_ks_pw_tool.o\
esolver_sdft_pw.o\
esolver_sdft_pw_tool.o\
esolver_lj.o\
esolver_dp.o\
esolver_of.o\
Expand Down Expand Up @@ -595,6 +593,10 @@ OBJS_SRCPW=H_Ewald_pw.o\
symmetry_rhog.o\
wavefunc.o\
wf_atomic.o\
elecond.o\
sto_tool.o\
sto_elecond.o\
sto_dos.o

OBJS_VDW=vdw.o\
vdwd2_parameters.o\
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2 changes: 0 additions & 2 deletions source/module_esolver/CMakeLists.txt
Original file line number Diff line number Diff line change
Expand Up @@ -3,9 +3,7 @@ list(APPEND objects
esolver_ks.cpp
esolver_fp.cpp
esolver_ks_pw.cpp
esolver_ks_pw_tool.cpp
esolver_sdft_pw.cpp
esolver_sdft_pw_tool.cpp
esolver_lj.cpp
esolver_dp.cpp
esolver_of.cpp
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