Skip to content

Commit 7891ac7

Browse files
mohanchenabacus_fixer
andauthored
Move some files from source_io to source_base and source_cell (deepmodeling#7789)
* move binstream from source_io to module_out in source_base * move filename to source_base * move file_reader and sparse_matrix to source_base * move csr_reader and cif_io * move ucell_io * move test files * refactor parallel_grid.h and cpp * update parallel_grid * refactor parallel_grid * update parallel grid * move parallel grid to source_base * fix small bugs * increase the threshold from 0.005 to 0.006 * fix bug * fix makefile --------- Co-authored-by: abacus_fixer <mohanchen@pku.eud.cn>
1 parent 6c7c658 commit 7891ac7

100 files changed

Lines changed: 297 additions & 391 deletions

File tree

Some content is hidden

Large Commits have some content hidden by default. Use the searchbox below for content that may be hidden.

source/Makefile.Objects

Lines changed: 8 additions & 7 deletions
Original file line numberDiff line numberDiff line change
@@ -28,6 +28,7 @@ VPATH=./src_global:\
2828
./source_base/module_container/ATen/ops:\
2929
./source_base/module_device:\
3030
./source_base/module_mixing:\
31+
./source_base/module_out:\
3132
./source_md:\
3233
./source_basis/module_pw:\
3334
./source_base/module_fft:\
@@ -181,6 +182,11 @@ OBJS_BASE=assoc_laguerre.o\
181182
device_helpers.o\
182183
output_device.o\
183184
parallel_2d.o\
185+
binstream.o\
186+
filename.o\
187+
sparse_matrix.o\
188+
read_exit_file.o\
189+
orb_io.o\
184190

185191
OBJS_CELL=atom_pseudo.o\
186192
atom_spec.o\
@@ -211,6 +217,8 @@ OBJS_CELL=atom_pseudo.o\
211217
read_pseudo.o\
212218
cal_wfc.o\
213219
cal_ux.o\
220+
cif_io.o\
221+
ucell_io.o\
214222

215223
OBJS_DEEPKS=LCAO_deepks.o\
216224
deepks_basic.o\
@@ -548,19 +556,16 @@ OBJS_IO=module_parameter/input_conv.o\
548556
module_dos/cal_pdos_gamma.o\
549557
module_dos/cal_pdos_multik.o\
550558
module_dos/cal_ldos.o\
551-
cif_io.o\
552559
module_bessel/numerical_descriptor.o\
553560
module_bessel/numerical_basis.o\
554561
module_bessel/numerical_basis_jyjy.o\
555562
output.o\
556563
print_info.o\
557564
read_cube.o\
558565
rhog_io.o\
559-
read_exit_file.o\
560566
read_wfc_pw.o\
561567
read_wf2rho_pw.o\
562568
restart.o\
563-
binstream.o\
564569
module_wannier/to_wannier90.o\
565570
module_qo/to_qo_kernel.o\
566571
module_qo/to_qo_mpi.o\
@@ -612,10 +617,7 @@ OBJS_IO=module_parameter/input_conv.o\
612617
module_parameter/read_input_item_other.o\
613618
module_parameter/read_input_item_output.o\
614619
module_parameter/read_set_globalv.o\
615-
orb_io.o\
616620
cal_pLpR.o\
617-
filename.o\
618-
ucell_io.o\
619621

620622
OBJS_IO_LCAO=cal_r_overlap_R.o\
621623
write_orb_info.o\
@@ -632,7 +634,6 @@ OBJS_IO_LCAO=cal_r_overlap_R.o\
632634
single_R_io.o\
633635
module_hs/write_HS_R.o\
634636
module_dm/write_dmr.o\
635-
sparse_matrix.o\
636637
module_mulliken/output_mulliken.o\
637638
module_mulliken/output_sk.o\
638639
module_mulliken/output_dmk.o\

source/source_base/CMakeLists.txt

Lines changed: 8 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -55,10 +55,18 @@ add_library(
5555
parallel_comm.cpp
5656
parallel_reduce.cpp
5757
parallel_device.cpp
58+
parallel_grid.cpp
5859
spherical_bessel_transformer.cpp
5960
cubic_spline.cpp
6061
parallel_2d.cpp
6162
projgen.cpp
63+
module_out/binstream.cpp
64+
module_out/filename.cpp
65+
module_out/sparse_matrix.cpp
66+
module_out/file_reader.cpp
67+
module_out/csr_reader.cpp
68+
module_out/read_exit_file.cpp
69+
module_out/orb_io.cpp
6270
module_mixing/mixing_data.cpp
6371
module_mixing/mixing.cpp
6472
module_mixing/plain_mixing.cpp

source/source_io/module_output/binstream.cpp renamed to source/source_base/module_out/binstream.cpp

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -1,6 +1,6 @@
11
#include <stdio.h>
22
#include <string>
3-
#include "binstream.h"
3+
#include "source_base/module_out/binstream.h"
44

55
namespace
66
{
File renamed without changes.
File renamed without changes.
File renamed without changes.
File renamed without changes.
File renamed without changes.

source/source_io/module_output/filename.cpp renamed to source/source_base/module_out/filename.cpp

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -1,5 +1,5 @@
11
#include <set>
2-
#include "source_io/module_output/filename.h"
2+
#include "source_base/module_out/filename.h"
33
#include "source_base/tool_quit.h"
44

55
namespace ModuleIO
@@ -19,7 +19,7 @@ std::string filename_output(
1919
const int istep,
2020
const int iter)
2121
{
22-
// output filename = "{PARAM.globalv.global_out_dir}/property{s}{spin index}
22+
// output filename = "{global_out_dir}/property{s}{spin index}
2323
// {k(optional)}{k-point index}{g(optional)}{geometry index1}{_basis(nao|pw)}
2424
// + {".txt"/".dat"}"
2525

0 commit comments

Comments
 (0)