Commit 1f3488e
committed
Merge branch 'dev-1' of https://github.com/zgn-26714/abacus-develop into dev-1
File tree
273 files changed
+4371
-21083
lines changed- .github/workflows
- docs
- advanced/input_files
- quick_start
- examples/relax/lcao_output
- python/pyabacus
- src
- ModuleNAO
- pyabacus
- ModuleNAO
- io
- tests
- source
- source_base
- kernels
- cuda
- rocm
- module_device
- cuda
- source_basis
- module_ao
- module_nao
- source_cell
- source_esolver
- source_estate/module_pot
- source_hamilt/module_xc
- source_hsolver
- kernels
- cuda
- rocm
- test
- source_io
- module_parameter
- test_serial
- test
- support
- source_lcao
- module_deepks
- module_hcontainer
- module_operator_lcao
- module_ri
- module_rt
- source_main
- source_pw
- module_ofdft
- ml_tools
- module_pwdft
- kernels
- cuda
- rocm
- tests
- 02_NAO_Gamma/018_NO_GO_ODM
- 03_NAO_multik/05_NO_KP_DJ_OC2
- 09_DeePKS
- 103_NO_GO_deepks_out_freq_elec
- 103_NO_KP_deepks_out_freq_elec
- 10_others
- 05_Alllog_filename
- integrate/tools
- toolchain
- scripts
- patches
- stage4
- tools
- SIAB
- PyTorchGradient/example_opt_lcao_bash
- SimulatedAnnealing
- backup_old_version
- 1_Source
- Makefiles
- src_parallel
- src_pw
- src_spillage
- src_tools
- tests_p
- tests_s
- 2_Generate
- 07_N
- 6
- source
- Makefiles
- doc
- src_spillage
- src_tools
- tests_p
- opt_lcao_bash
Some content is hidden
Large Commits have some content hidden by default. Use the searchbox below for content that may be hidden.
273 files changed
+4371
-21083
lines changed| Original file line number | Diff line number | Diff line change | |
|---|---|---|---|
| |||
43 | 43 | | |
44 | 44 | | |
45 | 45 | | |
46 | | - | |
| 46 | + | |
47 | 47 | | |
48 | 48 | | |
49 | 49 | | |
| |||
| Original file line number | Diff line number | Diff line change | |
|---|---|---|---|
| |||
16 | 16 | | |
17 | 17 | | |
18 | 18 | | |
19 | | - | |
| 19 | + | |
20 | 20 | | |
21 | 21 | | |
22 | 22 | | |
| |||
| Original file line number | Diff line number | Diff line change | |
|---|---|---|---|
| |||
12 | 12 | | |
13 | 13 | | |
14 | 14 | | |
15 | | - | |
| 15 | + | |
16 | 16 | | |
17 | 17 | | |
18 | 18 | | |
| |||
| Original file line number | Diff line number | Diff line change | |
|---|---|---|---|
| |||
21 | 21 | | |
22 | 22 | | |
23 | 23 | | |
24 | | - | |
| 24 | + | |
25 | 25 | | |
26 | 26 | | |
27 | 27 | | |
| |||
| Original file line number | Diff line number | Diff line change | |
|---|---|---|---|
| |||
17 | 17 | | |
18 | 18 | | |
19 | 19 | | |
20 | | - | |
| 20 | + | |
21 | 21 | | |
22 | 22 | | |
23 | 23 | | |
| |||
| Original file line number | Diff line number | Diff line change | |
|---|---|---|---|
| |||
30 | 30 | | |
31 | 31 | | |
32 | 32 | | |
33 | | - | |
| 33 | + | |
34 | 34 | | |
35 | 35 | | |
36 | 36 | | |
| |||
48 | 48 | | |
49 | 49 | | |
50 | 50 | | |
51 | | - | |
| 51 | + | |
52 | 52 | | |
53 | 53 | | |
54 | 54 | | |
| |||
| Original file line number | Diff line number | Diff line change | |
|---|---|---|---|
| |||
13 | 13 | | |
14 | 14 | | |
15 | 15 | | |
16 | | - | |
| 16 | + | |
17 | 17 | | |
18 | 18 | | |
19 | 19 | | |
| |||
| Original file line number | Diff line number | Diff line change | |
|---|---|---|---|
| |||
14 | 14 | | |
15 | 15 | | |
16 | 16 | | |
17 | | - | |
| 17 | + | |
18 | 18 | | |
19 | 19 | | |
20 | 20 | | |
| |||
| Original file line number | Diff line number | Diff line change | |
|---|---|---|---|
| |||
11 | 11 | | |
12 | 12 | | |
13 | 13 | | |
14 | | - | |
| 14 | + | |
15 | 15 | | |
16 | | - | |
| 16 | + | |
17 | 17 | | |
18 | 18 | | |
19 | 19 | | |
| |||
| Original file line number | Diff line number | Diff line change | |
|---|---|---|---|
| |||
18 | 18 | | |
19 | 19 | | |
20 | 20 | | |
21 | | - | |
| 21 | + | |
22 | 22 | | |
23 | 23 | | |
24 | 24 | | |
| |||
0 commit comments