Refactor:Use PARAM instead of deepks* #5104

A-006 · 2024-09-14T13:21:05Z

Unit Tests and/or Case Tests for my changes

Change deepks CMakeLists.txt and unit test files.

What's changed?

Change the Deepks files in the cpp files,add Conditional judgment in the set globalv file.

source/module_io/read_input_item_deepks.cpp

source/module_io/input_conv.cpp

source/module_io/read_input.cpp

source/module_parameter/system_parameter.h

A-006 added 30 commits September 10, 2024 20:35

change bcast

b3a8ab8

change parameter global out dir in the cpp file

46f420e

fix delete bug in bcast file

1bde6b7

change parameter global_out_dir in test file

c4cf319

add parameter in the test file

15c794b

change parameter global_readin_dir in the bcast file

1b99052

change parameter global_readin_dir in the cpp file

3c8a045

change parameter global_readin_dir in the test file

857c00c

change parameter global_stru_dir in the cpp& test file

fa00c7f

change parameter global_matix_dir in the cpp& test file

8517b39

fix global variable

65f68ef

add input file name in input_parameter

f7c765d

delete stru file name in cpp file

51d7f4a

delete kpoint name in cpp file

e7e88f9

change parameter deepks_unittest in the input_paramter file

7650eb6

change parameter deepks_bandgap in the cpp file

be52ea1

change parameter deepks_v_delta in the cpp file

a3d47ac

change parameter deepks_deepks_equiv in the cpp file

55661c9

change parameter deepks_setorb in the test&cpp file

5f3cc1d

change parameter deepks_scf in the test&cpp file

dd47077

change parameter deepks_out_labels in the test&cpp file

ff6dd4b

change parameter deepks_variable in the global variable file

f08820f

change parameter in domag domag_z in the parameter

32183d2

add unit test in set globalvaribale

a31e072

Merge branch 'develop' into para13

6239f30

fix bug in build

ab3467c

fix bug in deepks

ee982b4

fix bug in deepks

36f2dad

change variable.cpp

ba29064

change set orb test

ed122a6

A-006 and others added 2 commits September 14, 2024 21:13

fix bug

190db90

Merge branch 'deepmodeling:develop' into para13

389cf0f

A-006 marked this pull request as draft September 14, 2024 13:21

fix bug in CMakeLists.txt

ba13acc

A-006 requested a review from Qianruipku September 16, 2024 12:01

A-006 marked this pull request as ready for review September 16, 2024 12:01

mohanchen reviewed Sep 17, 2024

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source/module_io/read_input_item_deepks.cpp Outdated Show resolved Hide resolved

Qianruipku requested changes Sep 17, 2024

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source/module_io/input_conv.cpp Outdated Show resolved Hide resolved

source/module_io/read_input.cpp Show resolved Hide resolved

source/module_parameter/system_parameter.h Outdated Show resolved Hide resolved

A-006 and others added 3 commits September 17, 2024 11:49

Merge branch 'develop' into para13

1e9244a

fix paramter

48da346

Merge branch 'develop' into para13

02f9f35

Qianruipku approved these changes Sep 17, 2024

View reviewed changes

Qianruipku merged commit fec3065 into deepmodeling:develop Sep 18, 2024
14 checks passed

A-006 mentioned this pull request Sep 19, 2024

Use PARAM instead of GlobalV #5137

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Refactor:Use PARAM instead of deepks* #5104

Refactor:Use PARAM instead of deepks* #5104

A-006 commented Sep 14, 2024

Refactor:Use PARAM instead of deepks* #5104

Refactor:Use PARAM instead of deepks* #5104

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A-006 commented Sep 14, 2024

Unit Tests and/or Case Tests for my changes

What's changed?