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Remove write_psi_r_1 interface from ABACUS
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8 files changed

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-271
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8 files changed

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source/Makefile.Objects

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@@ -561,7 +561,6 @@ OBJS_IO=input_conv.o\
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write_elf.o\
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write_dipole.o\
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td_current_io.o\
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write_wfc_r.o\
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write_libxc_r.o\
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output_log.o\
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output_mat_sparse.o\

source/source_esolver/esolver_ks_lcaopw.cpp

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@@ -31,7 +31,6 @@
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#include "source_io/to_wannier90_pw.h"
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#include "source_io/winput.h"
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#include "source_io/write_elecstat_pot.h"
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#include "source_io/write_wfc_r.h"
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#include "module_parameter/parameter.h"
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#include <ATen/kernels/blas.h>

source/source_esolver/esolver_ks_pw.cpp

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@@ -31,7 +31,6 @@
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#include "source_io/winput.h"
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#include "source_io/write_dos_pw.h"
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#include "source_io/write_wfc_pw.h"
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#include "source_io/write_wfc_r.h"
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#include "module_parameter/parameter.h"
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#include <iostream>
@@ -944,16 +943,6 @@ void ESolver_KS_PW<T, Device>::after_all_runners(UnitCell& ucell)
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//----------------------------------------------------------
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//! 5) Print out electronic wave functions in real space
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//----------------------------------------------------------
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//----------------------------------------------------------
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//! The write_psi_r_1 interface will be removed in the very
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//! near future. Don't use it!
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//----------------------------------------------------------
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// if (PARAM.inp.out_wfc_r == 1) // Peize Lin add 2021.11.21
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// {
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// ModuleIO::write_psi_r_1(ucell, this->psi[0], this->pw_wfc, "wfc_realspace", true, this->kv);
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// }
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const std::vector<int> out_wfc_norm = PARAM.inp.out_wfc_norm;
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const std::vector<int> out_wfc_re_im = PARAM.inp.out_wfc_re_im;
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if (out_wfc_norm.size() > 0 || out_wfc_re_im.size() > 0)

source/source_esolver/pw_others.cpp

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@@ -33,7 +33,6 @@
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#include "source_io/to_wannier90_pw.h"
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#include "source_io/winput.h"
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#include "source_io/write_elecstat_pot.h"
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#include "source_io/write_wfc_r.h"
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#include "module_parameter/parameter.h"
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#include <ATen/kernels/blas.h>

source/source_io/CMakeLists.txt

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@@ -30,7 +30,6 @@ list(APPEND objects
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write_dipole.cpp
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write_mlkedf_descriptors.cpp
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td_current_io.cpp
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write_wfc_r.cpp
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write_libxc_r.cpp
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output_log.cpp
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para_json.cpp

source/source_io/write_wfc_r.cpp

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source/source_io/write_wfc_r.h

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source/source_relax/relax_driver.cpp

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@@ -7,7 +7,6 @@
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#include "source_io/output_log.h"
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#include "source_io/print_info.h"
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#include "source_io/read_exit_file.h"
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#include "source_io/write_wfc_r.h"
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#include "module_parameter/parameter.h"
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#include "source_cell/print_cell.h"
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