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Fix: useless output with EXX and symmetry on#6934

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mohanchen merged 1 commit intodeepmodeling:developfrom
dyzheng:fix_exx_symm
Jan 30, 2026
Merged

Fix: useless output with EXX and symmetry on#6934
mohanchen merged 1 commit intodeepmodeling:developfrom
dyzheng:fix_exx_symm

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@dyzheng dyzheng commented Jan 30, 2026

Reminder

  • Have you linked an issue with this pull request?
  • Have you added adequate unit tests and/or case tests for your pull request?
  • Have you noticed possible changes of behavior below or in the linked issue?
  • Have you explained the changes of codes in core modules of ESolver, HSolver, ElecState, Hamilt, Operator or Psi? (ignore if not applicable)

Linked Issue

Fix #...

Unit Tests and/or Case Tests for my changes

  • A unit test is added for each new feature or bug fix.

What's changed?

starsize: 1
isym: 0 ks_vec: 0 0 0
starsize: 8
isym: 0 ks_vec: 0.125 0.125 0.125
isym: 1 ks_vec: -0.125 -0.125 -0.125
isym: 12 ks_vec: -0.125 0 0
isym: 13 ks_vec: 0.125 0 0
isym: 14 ks_vec: 0 -0.125 0
isym: 15 ks_vec: 0 0.125 0
isym: 20 ks_vec: 0 0 -0.125
isym: 21 ks_vec: 0 0 0.125
starsize: 8
isym: 0 ks_vec: 0.25 0.25 0.25
isym: 1 ks_vec: -0.25 -0.25 -0.25
isym: 12 ks_vec: -0.25 0 0
isym: 13 ks_vec: 0.25 0 0
isym: 14 ks_vec: 0 -0.25 0
isym: 15 ks_vec: 0 0.25 0
isym: 20 ks_vec: 0 0 -0.25
isym: 21 ks_vec: 0 0 0.25
starsize: 8
isym: 0 ks_vec: 0.375 0.375 0.375
isym: 1 ks_vec: -0.375 -0.375 -0.375
isym: 12 ks_vec: -0.375 0 0
isym: 13 ks_vec: 0.375 0 0
isym: 14 ks_vec: 0 -0.375 0
isym: 15 ks_vec: 0 0.375 0
isym: 20 ks_vec: 0 0 -0.375
isym: 21 ks_vec: 0 0 0.375
starsize: 4
isym: 0 ks_vec: 0.5 0.5 0.5
isym: 12 ks_vec: 0.5 0 0
isym: 14 ks_vec: 0 0.5 0
isym: 20 ks_vec: 0 0 0.5
starsize: 6
isym: 0 ks_vec: 0.125 0.125 0
isym: 1 ks_vec: -0.125 -0.125 0
isym: 2 ks_vec: -0.125 0 -0.125
isym: 3 ks_vec: 0.125 0 0.125
isym: 4 ks_vec: 0 -0.125 -0.125
isym: 5 ks_vec: 0 0.125 0.125
starsize: 24
isym: 0 ks_vec: 0.25 0.25 0.125
isym: 1 ks_vec: -0.25 -0.25 -0.125
isym: 2 ks_vec: -0.25 -0.125 -0.25
isym: 3 ks_vec: 0.25 0.125 0.25
isym: 4 ks_vec: -0.125 -0.25 -0.25
isym: 5 ks_vec: 0.125 0.25 0.25
isym: 12 ks_vec: -0.25 0 -0.125
isym: 13 ks_vec: 0.25 0 0.125
isym: 14 ks_vec: 0 -0.25 -0.125
isym: 15 ks_vec: 0 0.25 0.125
isym: 16 ks_vec: 0.125 0.25 0
isym: 17 ks_vec: -0.125 -0.25 0
isym: 18 ks_vec: 0.125 -0.125 -0.125
isym: 19 ks_vec: -0.125 0.125 0.125
isym: 20 ks_vec: 0.125 0.125 -0.125
isym: 21 ks_vec: -0.125 -0.125 0.125
isym: 22 ks_vec: -0.125 0 -0.25
isym: 23 ks_vec: 0.125 0 0.25
isym: 24 ks_vec: 0 -0.125 -0.25
isym: 25 ks_vec: 0 0.125 0.25
isym: 26 ks_vec: 0.25 0.125 0
isym: 27 ks_vec: -0.25 -0.125 0
isym: 28 ks_vec: -0.125 0.125 -0.125
isym: 29 ks_vec: 0.125 -0.125 0.125
starsize: 24
isym: 0 ks_vec: 0.375 0.375 0.25
isym: 1 ks_vec: -0.375 -0.375 -0.25
isym: 2 ks_vec: -0.375 -0.25 -0.375
isym: 3 ks_vec: 0.375 0.25 0.375
isym: 4 ks_vec: -0.25 -0.375 -0.375
isym: 5 ks_vec: 0.25 0.375 0.375
isym: 12 ks_vec: -0.375 0 -0.125
isym: 13 ks_vec: 0.375 0 0.125
isym: 14 ks_vec: 0 -0.375 -0.125
isym: 15 ks_vec: 0 0.375 0.125
isym: 16 ks_vec: 0.125 0.375 0
isym: 17 ks_vec: -0.125 -0.375 0
isym: 18 ks_vec: 0.25 -0.125 -0.125
isym: 19 ks_vec: -0.25 0.125 0.125
isym: 20 ks_vec: 0.125 0.125 -0.25
isym: 21 ks_vec: -0.125 -0.125 0.25
isym: 22 ks_vec: -0.125 0 -0.375
isym: 23 ks_vec: 0.125 0 0.375
isym: 24 ks_vec: 0 -0.125 -0.375
isym: 25 ks_vec: 0 0.125 0.375
isym: 26 ks_vec: 0.375 0.125 0
isym: 27 ks_vec: -0.375 -0.125 0
isym: 28 ks_vec: -0.125 0.25 -0.125
isym: 29 ks_vec: 0.125 -0.25 0.125
starsize: 24
isym: 0 ks_vec: 0.5 0.5 0.375
isym: 1 ks_vec: 0.5 0.5 -0.375
isym: 2 ks_vec: 0.5 -0.375 0.5
isym: 3 ks_vec: 0.5 0.375 0.5
isym: 4 ks_vec: -0.375 0.5 0.5
isym: 5 ks_vec: 0.375 0.5 0.5
isym: 12 ks_vec: 0.5 0 -0.125
isym: 13 ks_vec: 0.5 0 0.125
isym: 14 ks_vec: 0 0.5 -0.125
isym: 15 ks_vec: 0 0.5 0.125
isym: 16 ks_vec: 0.125 0.5 0
isym: 17 ks_vec: -0.125 0.5 0
isym: 18 ks_vec: 0.375 -0.125 -0.125
isym: 19 ks_vec: -0.375 0.125 0.125
isym: 20 ks_vec: 0.125 0.125 -0.375
isym: 21 ks_vec: -0.125 -0.125 0.375
isym: 22 ks_vec: -0.125 0 0.5
isym: 23 ks_vec: 0.125 0 0.5
isym: 24 ks_vec: 0 -0.125 0.5
isym: 25 ks_vec: 0 0.125 0.5
isym: 26 ks_vec: 0.5 0.125 0
isym: 27 ks_vec: 0.5 -0.125 0
isym: 28 ks_vec: -0.125 0.375 -0.125
isym: 29 ks_vec: 0.125 -0.375 0.125
starsize: 24
isym: 0 ks_vec: 0.5 0.375 0.375
isym: 1 ks_vec: 0.5 -0.375 -0.375
isym: 4 ks_vec: -0.375 -0.375 0.5
isym: 5 ks_vec: 0.375 0.375 0.5
isym: 6 ks_vec: 0.375 0.5 0.375
isym: 7 ks_vec: -0.375 0.5 -0.375
isym: 12 ks_vec: -0.375 0.125 0
isym: 13 ks_vec: 0.375 -0.125 0
isym: 14 ks_vec: -0.125 0.5 -0.125
isym: 15 ks_vec: 0.125 0.5 0.125
isym: 20 ks_vec: 0 0.125 -0.375
isym: 21 ks_vec: 0 -0.125 0.375
isym: 22 ks_vec: -0.125 -0.125 0.5
isym: 23 ks_vec: 0.125 0.125 0.5
isym: 24 ks_vec: 0.125 0 -0.375
isym: 25 ks_vec: -0.125 0 0.375
isym: 26 ks_vec: 0.375 0 -0.125
isym: 27 ks_vec: -0.375 0 0.125
isym: 28 ks_vec: 0 0.375 -0.125
isym: 29 ks_vec: 0 -0.375 0.125
isym: 30 ks_vec: 0.125 -0.375 0
isym: 31 ks_vec: -0.125 0.375 0
isym: 32 ks_vec: 0.5 -0.125 -0.125
isym: 33 ks_vec: 0.5 0.125 0.125
starsize: 24
isym: 0 ks_vec: 0.375 0.25 0.25
isym: 1 ks_vec: -0.375 -0.25 -0.25
isym: 4 ks_vec: -0.25 -0.25 -0.375
isym: 5 ks_vec: 0.25 0.25 0.375
isym: 6 ks_vec: 0.25 0.375 0.25
isym: 7 ks_vec: -0.25 -0.375 -0.25
isym: 12 ks_vec: -0.25 0.125 0
isym: 13 ks_vec: 0.25 -0.125 0
isym: 14 ks_vec: -0.125 -0.375 -0.125
isym: 15 ks_vec: 0.125 0.375 0.125
isym: 20 ks_vec: 0 0.125 -0.25
isym: 21 ks_vec: 0 -0.125 0.25
isym: 22 ks_vec: -0.125 -0.125 -0.375
isym: 23 ks_vec: 0.125 0.125 0.375
isym: 24 ks_vec: 0.125 0 -0.25
isym: 25 ks_vec: -0.125 0 0.25
isym: 26 ks_vec: 0.25 0 -0.125
isym: 27 ks_vec: -0.25 0 0.125
isym: 28 ks_vec: 0 0.25 -0.125
isym: 29 ks_vec: 0 -0.25 0.125
isym: 30 ks_vec: 0.125 -0.25 0
isym: 31 ks_vec: -0.125 0.25 0
isym: 32 ks_vec: -0.375 -0.125 -0.125
isym: 33 ks_vec: 0.375 0.125 0.125
starsize: 12
isym: 0 ks_vec: 0.125 0.125 0.25
isym: 1 ks_vec: -0.125 -0.125 -0.25
isym: 2 ks_vec: -0.125 -0.25 -0.125
isym: 3 ks_vec: 0.125 0.25 0.125
isym: 4 ks_vec: -0.25 -0.125 -0.125
isym: 5 ks_vec: 0.25 0.125 0.125
isym: 12 ks_vec: -0.125 0 0.125
isym: 13 ks_vec: 0.125 0 -0.125
isym: 14 ks_vec: 0 -0.125 0.125
isym: 15 ks_vec: 0 0.125 -0.125
isym: 16 ks_vec: -0.125 0.125 0
isym: 17 ks_vec: 0.125 -0.125 0
starsize: 6
isym: 0 ks_vec: 0.25 0.25 0
isym: 1 ks_vec: -0.25 -0.25 0
isym: 2 ks_vec: -0.25 0 -0.25
isym: 3 ks_vec: 0.25 0 0.25
isym: 4 ks_vec: 0 -0.25 -0.25
isym: 5 ks_vec: 0 0.25 0.25
starsize: 24
isym: 0 ks_vec: 0.375 0.375 0.125
isym: 1 ks_vec: -0.375 -0.375 -0.125
isym: 2 ks_vec: -0.375 -0.125 -0.375
isym: 3 ks_vec: 0.375 0.125 0.375
isym: 4 ks_vec: -0.125 -0.375 -0.375
isym: 5 ks_vec: 0.125 0.375 0.375
isym: 12 ks_vec: -0.375 0 -0.25
isym: 13 ks_vec: 0.375 0 0.25
isym: 14 ks_vec: 0 -0.375 -0.25
isym: 15 ks_vec: 0 0.375 0.25
isym: 16 ks_vec: 0.25 0.375 0
isym: 17 ks_vec: -0.25 -0.375 0
isym: 18 ks_vec: 0.125 -0.25 -0.25
isym: 19 ks_vec: -0.125 0.25 0.25
isym: 20 ks_vec: 0.25 0.25 -0.125
isym: 21 ks_vec: -0.25 -0.25 0.125
isym: 22 ks_vec: -0.25 0 -0.375
isym: 23 ks_vec: 0.25 0 0.375
isym: 24 ks_vec: 0 -0.25 -0.375
isym: 25 ks_vec: 0 0.25 0.375
isym: 26 ks_vec: 0.375 0.25 0
isym: 27 ks_vec: -0.375 -0.25 0
isym: 28 ks_vec: -0.25 0.125 -0.25
isym: 29 ks_vec: 0.25 -0.125 0.25
starsize: 24
isym: 0 ks_vec: 0.5 0.5 0.25
isym: 1 ks_vec: 0.5 0.5 -0.25
isym: 2 ks_vec: 0.5 -0.25 0.5
isym: 3 ks_vec: 0.5 0.25 0.5
isym: 4 ks_vec: -0.25 0.5 0.5
isym: 5 ks_vec: 0.25 0.5 0.5
isym: 12 ks_vec: 0.5 0 -0.25
isym: 13 ks_vec: 0.5 0 0.25
isym: 14 ks_vec: 0 0.5 -0.25
isym: 15 ks_vec: 0 0.5 0.25
isym: 16 ks_vec: 0.25 0.5 0
isym: 17 ks_vec: -0.25 0.5 0
isym: 18 ks_vec: 0.25 -0.25 -0.25
isym: 19 ks_vec: -0.25 0.25 0.25
isym: 20 ks_vec: 0.25 0.25 -0.25
isym: 21 ks_vec: -0.25 -0.25 0.25
isym: 22 ks_vec: -0.25 0 0.5
isym: 23 ks_vec: 0.25 0 0.5
isym: 24 ks_vec: 0 -0.25 0.5
isym: 25 ks_vec: 0 0.25 0.5
isym: 26 ks_vec: 0.5 0.25 0
isym: 27 ks_vec: 0.5 -0.25 0
isym: 28 ks_vec: -0.25 0.25 -0.25
isym: 29 ks_vec: 0.25 -0.25 0.25
starsize: 24
isym: 0 ks_vec: -0.375 0.375 0.375
isym: 1 ks_vec: 0.375 -0.375 -0.375
isym: 4 ks_vec: -0.375 -0.375 0.375
isym: 5 ks_vec: 0.375 0.375 -0.375
isym: 6 ks_vec: 0.375 -0.375 0.375
isym: 7 ks_vec: -0.375 0.375 -0.375
isym: 12 ks_vec: -0.375 0.25 0
isym: 13 ks_vec: 0.375 -0.25 0
isym: 14 ks_vec: -0.25 0.375 -0.25
isym: 15 ks_vec: 0.25 -0.375 0.25
isym: 20 ks_vec: 0 0.25 -0.375
isym: 21 ks_vec: 0 -0.25 0.375
isym: 22 ks_vec: -0.25 -0.25 0.375
isym: 23 ks_vec: 0.25 0.25 -0.375
isym: 24 ks_vec: 0.25 0 -0.375
isym: 25 ks_vec: -0.25 0 0.375
isym: 26 ks_vec: 0.375 0 -0.25
isym: 27 ks_vec: -0.375 0 0.25
isym: 28 ks_vec: 0 0.375 -0.25
isym: 29 ks_vec: 0 -0.375 0.25
isym: 30 ks_vec: 0.25 -0.375 0
isym: 31 ks_vec: -0.25 0.375 0
isym: 32 ks_vec: 0.375 -0.25 -0.25
isym: 33 ks_vec: -0.375 0.25 0.25
starsize: 12
isym: 0 ks_vec: 0.5 0.25 0.25
isym: 1 ks_vec: 0.5 -0.25 -0.25
isym: 4 ks_vec: -0.25 -0.25 0.5
isym: 5 ks_vec: 0.25 0.25 0.5
isym: 6 ks_vec: 0.25 0.5 0.25
isym: 7 ks_vec: -0.25 0.5 -0.25
isym: 12 ks_vec: -0.25 0.25 0
isym: 13 ks_vec: 0.25 -0.25 0
isym: 20 ks_vec: 0 0.25 -0.25
isym: 21 ks_vec: 0 -0.25 0.25
isym: 24 ks_vec: 0.25 0 -0.25
isym: 25 ks_vec: -0.25 0 0.25
starsize: 6
isym: 0 ks_vec: 0.375 0.375 0
isym: 1 ks_vec: -0.375 -0.375 0
isym: 2 ks_vec: -0.375 0 -0.375
isym: 3 ks_vec: 0.375 0 0.375
isym: 4 ks_vec: 0 -0.375 -0.375
isym: 5 ks_vec: 0 0.375 0.375
starsize: 24
isym: 0 ks_vec: 0.5 0.5 0.125
isym: 1 ks_vec: 0.5 0.5 -0.125
isym: 2 ks_vec: 0.5 -0.125 0.5
isym: 3 ks_vec: 0.5 0.125 0.5
isym: 4 ks_vec: -0.125 0.5 0.5
isym: 5 ks_vec: 0.125 0.5 0.5
isym: 12 ks_vec: 0.5 0 -0.375
isym: 13 ks_vec: 0.5 0 0.375
isym: 14 ks_vec: 0 0.5 -0.375
isym: 15 ks_vec: 0 0.5 0.375
isym: 16 ks_vec: 0.375 0.5 0
isym: 17 ks_vec: -0.375 0.5 0
isym: 18 ks_vec: 0.125 -0.375 -0.375
isym: 19 ks_vec: -0.125 0.375 0.375
isym: 20 ks_vec: 0.375 0.375 -0.125
isym: 21 ks_vec: -0.375 -0.375 0.125
isym: 22 ks_vec: -0.375 0 0.5
isym: 23 ks_vec: 0.375 0 0.5
isym: 24 ks_vec: 0 -0.375 0.5
isym: 25 ks_vec: 0 0.375 0.5
isym: 26 ks_vec: 0.5 0.375 0
isym: 27 ks_vec: 0.5 -0.375 0
isym: 28 ks_vec: -0.375 0.125 -0.375
isym: 29 ks_vec: 0.375 -0.125 0.375
starsize: 12
isym: 0 ks_vec: -0.25 0.375 0.375
isym: 1 ks_vec: 0.25 -0.375 -0.375
isym: 4 ks_vec: -0.375 -0.375 0.25
isym: 5 ks_vec: 0.375 0.375 -0.25
isym: 6 ks_vec: 0.375 -0.25 0.375
isym: 7 ks_vec: -0.375 0.25 -0.375
isym: 12 ks_vec: -0.375 0.375 0
isym: 13 ks_vec: 0.375 -0.375 0
isym: 20 ks_vec: 0 0.375 -0.375
isym: 21 ks_vec: 0 -0.375 0.375
isym: 24 ks_vec: 0.375 0 -0.375
isym: 25 ks_vec: -0.375 0 0.375
starsize: 3
isym: 0 ks_vec: 0.5 0.5 0
isym: 2 ks_vec: 0.5 0 0.5
isym: 4 ks_vec: 0 0.5 0.5
starsize: 24
isym: 0 ks_vec: 0.375 0.25 0.125
isym: 1 ks_vec: -0.375 -0.25 -0.125
isym: 2 ks_vec: -0.375 -0.125 -0.25
isym: 3 ks_vec: 0.375 0.125 0.25
isym: 4 ks_vec: -0.125 -0.25 -0.375
isym: 5 ks_vec: 0.125 0.25 0.375
isym: 6 ks_vec: 0.125 0.375 0.25
isym: 7 ks_vec: -0.125 -0.375 -0.25
isym: 8 ks_vec: 0.25 0.125 0.375
isym: 9 ks_vec: -0.25 -0.125 -0.375
isym: 10 ks_vec: -0.25 -0.375 -0.125
isym: 11 ks_vec: 0.25 0.375 0.125
isym: 12 ks_vec: -0.25 0.125 -0.125
isym: 13 ks_vec: 0.25 -0.125 0.125
isym: 18 ks_vec: 0.125 -0.25 -0.125
isym: 19 ks_vec: -0.125 0.25 0.125
isym: 20 ks_vec: 0.125 0.25 -0.125
isym: 21 ks_vec: -0.125 -0.25 0.125
isym: 24 ks_vec: 0.125 -0.125 -0.25
isym: 25 ks_vec: -0.125 0.125 0.25
isym: 26 ks_vec: 0.25 0.125 -0.125
isym: 27 ks_vec: -0.25 -0.125 0.125
isym: 28 ks_vec: -0.125 0.125 -0.25
isym: 29 ks_vec: 0.125 -0.125 0.25
starsize: 48
isym: 0 ks_vec: 0.5 0.375 0.25
isym: 1 ks_vec: 0.5 -0.375 -0.25
isym: 2 ks_vec: 0.5 -0.25 -0.375
isym: 3 ks_vec: 0.5 0.25 0.375
isym: 4 ks_vec: -0.25 -0.375 0.5
isym: 5 ks_vec: 0.25 0.375 0.5
isym: 6 ks_vec: 0.25 0.5 0.375
isym: 7 ks_vec: -0.25 0.5 -0.375
isym: 8 ks_vec: 0.375 0.25 0.5
isym: 9 ks_vec: -0.375 -0.25 0.5
isym: 10 ks_vec: -0.375 0.5 -0.25
isym: 11 ks_vec: 0.375 0.5 0.25
isym: 12 ks_vec: -0.375 0.125 -0.125
isym: 13 ks_vec: 0.375 -0.125 0.125
isym: 14 ks_vec: -0.125 0.5 -0.25
isym: 15 ks_vec: 0.125 0.5 0.25
isym: 16 ks_vec: 0.25 0.5 0.125
isym: 17 ks_vec: -0.25 0.5 -0.125
isym: 18 ks_vec: 0.25 -0.25 -0.125
isym: 19 ks_vec: -0.25 0.25 0.125
isym: 20 ks_vec: 0.125 0.25 -0.25
isym: 21 ks_vec: -0.125 -0.25 0.25
isym: 22 ks_vec: -0.25 -0.125 0.5
isym: 23 ks_vec: 0.25 0.125 0.5
isym: 24 ks_vec: 0.125 -0.125 -0.375
isym: 25 ks_vec: -0.125 0.125 0.375
isym: 26 ks_vec: 0.375 0.125 -0.125
isym: 27 ks_vec: -0.375 -0.125 0.125
isym: 28 ks_vec: -0.125 0.25 -0.25
isym: 29 ks_vec: 0.125 -0.25 0.25
isym: 30 ks_vec: 0.25 -0.25 0.125
isym: 31 ks_vec: -0.25 0.25 -0.125
isym: 32 ks_vec: 0.5 -0.25 -0.125
isym: 33 ks_vec: 0.5 0.25 0.125
isym: 34 ks_vec: 0.125 0.25 0.5
isym: 35 ks_vec: -0.125 -0.25 0.5
isym: 36 ks_vec: -0.25 -0.125 0.25
isym: 37 ks_vec: 0.25 0.125 -0.25
isym: 38 ks_vec: 0.125 -0.125 0.375
isym: 39 ks_vec: -0.125 0.125 -0.375
isym: 40 ks_vec: -0.25 0.125 0.25
isym: 41 ks_vec: 0.25 -0.125 -0.25
isym: 42 ks_vec: -0.125 -0.375 0.125
isym: 43 ks_vec: 0.125 0.375 -0.125
isym: 44 ks_vec: 0.5 0.125 0.25
isym: 45 ks_vec: 0.5 -0.125 -0.25
isym: 46 ks_vec: -0.125 0.375 0.125
isym: 47 ks_vec: 0.125 -0.375 -0.125
starsize: 24
isym: 0 ks_vec: 0.5 0.375 -0.375
isym: 1 ks_vec: 0.5 -0.375 0.375
isym: 4 ks_vec: 0.375 -0.375 0.5
isym: 5 ks_vec: -0.375 0.375 0.5
isym: 6 ks_vec: -0.375 0.5 0.375
isym: 7 ks_vec: 0.375 0.5 -0.375
isym: 12 ks_vec: -0.375 0.125 0.25
isym: 13 ks_vec: 0.375 -0.125 -0.25
isym: 14 ks_vec: -0.125 0.5 0.125
isym: 15 ks_vec: 0.125 0.5 -0.125
isym: 20 ks_vec: -0.25 -0.125 0.375
isym: 21 ks_vec: 0.25 0.125 -0.375
isym: 22 ks_vec: 0.125 -0.125 0.5
isym: 23 ks_vec: -0.125 0.125 0.5
isym: 24 ks_vec: 0.125 0.25 -0.375
isym: 25 ks_vec: -0.125 -0.25 0.375
isym: 26 ks_vec: 0.375 -0.25 -0.125
isym: 27 ks_vec: -0.375 0.25 0.125
isym: 28 ks_vec: 0.25 -0.375 0.125
isym: 29 ks_vec: -0.25 0.375 -0.125
isym: 30 ks_vec: -0.125 0.375 -0.25
isym: 31 ks_vec: 0.125 -0.375 0.25
isym: 32 ks_vec: 0.5 0.125 -0.125
isym: 33 ks_vec: 0.5 -0.125 0.125
starsize: 24
isym: 0 ks_vec: 0.5 0.375 0.125
isym: 1 ks_vec: 0.5 -0.375 -0.125
isym: 2 ks_vec: 0.5 -0.125 -0.375
isym: 3 ks_vec: 0.5 0.125 0.375
isym: 4 ks_vec: -0.125 -0.375 0.5
isym: 5 ks_vec: 0.125 0.375 0.5
isym: 6 ks_vec: 0.125 0.5 0.375
isym: 7 ks_vec: -0.125 0.5 -0.375
isym: 8 ks_vec: 0.375 0.125 0.5
isym: 9 ks_vec: -0.375 -0.125 0.5
isym: 10 ks_vec: -0.375 0.5 -0.125
isym: 11 ks_vec: 0.375 0.5 0.125
isym: 12 ks_vec: -0.375 0.125 -0.25
isym: 13 ks_vec: 0.375 -0.125 0.25
isym: 18 ks_vec: 0.125 -0.375 -0.25
isym: 19 ks_vec: -0.125 0.375 0.25
isym: 20 ks_vec: 0.25 0.375 -0.125
isym: 21 ks_vec: -0.25 -0.375 0.125
isym: 24 ks_vec: 0.125 -0.25 -0.375
isym: 25 ks_vec: -0.125 0.25 0.375
isym: 26 ks_vec: 0.375 0.25 -0.125
isym: 27 ks_vec: -0.375 -0.25 0.125
isym: 28 ks_vec: -0.25 0.125 -0.375
isym: 29 ks_vec: 0.25 -0.125 0.375
starsize: 48
isym: 0 ks_vec: 0.5 0.375 -0.25
isym: 1 ks_vec: 0.5 -0.375 0.25
isym: 2 ks_vec: 0.5 0.25 -0.375
isym: 3 ks_vec: 0.5 -0.25 0.375
isym: 4 ks_vec: 0.25 -0.375 0.5
isym: 5 ks_vec: -0.25 0.375 0.5
isym: 6 ks_vec: -0.25 0.5 0.375
isym: 7 ks_vec: 0.25 0.5 -0.375
isym: 8 ks_vec: 0.375 -0.25 0.5
isym: 9 ks_vec: -0.375 0.25 0.5
isym: 10 ks_vec: -0.375 0.5 0.25
isym: 11 ks_vec: 0.375 0.5 -0.25
isym: 12 ks_vec: -0.375 0.125 0.375
isym: 13 ks_vec: 0.375 -0.125 -0.375
isym: 14 ks_vec: -0.125 0.5 0.25
isym: 15 ks_vec: 0.125 0.5 -0.25
isym: 16 ks_vec: -0.25 0.5 0.125
isym: 17 ks_vec: 0.25 0.5 -0.125
isym: 18 ks_vec: -0.25 0.25 0.375
isym: 19 ks_vec: 0.25 -0.25 -0.375
isym: 20 ks_vec: -0.375 -0.25 0.25
isym: 21 ks_vec: 0.375 0.25 -0.25
isym: 22 ks_vec: 0.25 -0.125 0.5
isym: 23 ks_vec: -0.25 0.125 0.5
isym: 24 ks_vec: 0.125 0.375 -0.375
isym: 25 ks_vec: -0.125 -0.375 0.375
isym: 26 ks_vec: 0.375 -0.375 -0.125
isym: 27 ks_vec: -0.375 0.375 0.125
isym: 28 ks_vec: 0.375 -0.25 0.25
isym: 29 ks_vec: -0.375 0.25 -0.25
isym: 30 ks_vec: -0.25 0.25 -0.375
isym: 31 ks_vec: 0.25 -0.25 0.375
isym: 32 ks_vec: 0.5 0.25 -0.125
isym: 33 ks_vec: 0.5 -0.25 0.125
isym: 34 ks_vec: 0.125 -0.25 0.5
isym: 35 ks_vec: -0.125 0.25 0.5
isym: 36 ks_vec: 0.25 0.375 -0.25
isym: 37 ks_vec: -0.25 -0.375 0.25
isym: 38 ks_vec: -0.375 -0.125 0.375
isym: 39 ks_vec: 0.375 0.125 -0.375
isym: 40 ks_vec: 0.25 -0.375 -0.25
isym: 41 ks_vec: -0.25 0.375 0.25
isym: 42 ks_vec: 0.375 -0.375 0.125
isym: 43 ks_vec: -0.375 0.375 -0.125
isym: 44 ks_vec: 0.5 0.125 -0.25
isym: 45 ks_vec: 0.5 -0.125 0.25
isym: 46 ks_vec: -0.125 0.375 -0.375
isym: 47 ks_vec: 0.125 -0.375 0.375
starsize: 24
isym: 0 ks_vec: -0.375 0.375 0.25
isym: 1 ks_vec: 0.375 -0.375 -0.25
isym: 2 ks_vec: 0.375 -0.25 -0.375
isym: 3 ks_vec: -0.375 0.25 0.375
isym: 4 ks_vec: -0.25 -0.375 0.375
isym: 5 ks_vec: 0.25 0.375 -0.375
isym: 6 ks_vec: 0.25 -0.375 0.375
isym: 7 ks_vec: -0.25 0.375 -0.375
isym: 8 ks_vec: 0.375 0.25 -0.375
isym: 9 ks_vec: -0.375 -0.25 0.375
isym: 10 ks_vec: -0.375 0.375 -0.25
isym: 11 ks_vec: 0.375 -0.375 0.25
isym: 12 ks_vec: -0.375 0.25 -0.125
isym: 13 ks_vec: 0.375 -0.25 0.125
isym: 18 ks_vec: 0.25 -0.375 -0.125
isym: 19 ks_vec: -0.25 0.375 0.125
isym: 20 ks_vec: 0.125 0.375 -0.25
isym: 21 ks_vec: -0.125 -0.375 0.25
isym: 24 ks_vec: 0.25 -0.125 -0.375
isym: 25 ks_vec: -0.25 0.125 0.375
isym: 26 ks_vec: 0.375 0.125 -0.25
isym: 27 ks_vec: -0.375 -0.125 0.25
isym: 28 ks_vec: -0.125 0.25 -0.375
isym: 29 ks_vec: 0.125 -0.25 0.375
starsize: 12
isym: 0 ks_vec: -0.125 0.5 0.375
isym: 1 ks_vec: 0.125 0.5 -0.375
isym: 2 ks_vec: 0.125 -0.375 0.5
isym: 3 ks_vec: -0.125 0.375 0.5
isym: 4 ks_vec: -0.375 0.5 0.125
isym: 5 ks_vec: 0.375 0.5 -0.125
isym: 6 ks_vec: 0.375 -0.125 0.5
isym: 7 ks_vec: -0.375 0.125 0.5
isym: 8 ks_vec: 0.5 0.375 -0.125
isym: 9 ks_vec: 0.5 -0.375 0.125
isym: 10 ks_vec: 0.5 0.125 -0.375
isym: 11 ks_vec: 0.5 -0.125 0.375
starsize: 6
isym: 0 ks_vec: 0.5 0.25 -0.25
isym: 1 ks_vec: 0.5 -0.25 0.25
isym: 4 ks_vec: 0.25 -0.25 0.5
isym: 5 ks_vec: -0.25 0.25 0.5
isym: 6 ks_vec: -0.25 0.5 0.25
isym: 7 ks_vec: 0.25 0.5 -0.25

Any changes of core modules? (ignore if not applicable)

  • Example: I have added a new virtual function in the esolver base class in order to ...

@mohanchen mohanchen added the Refactor Refactor ABACUS codes label Jan 30, 2026
@mohanchen mohanchen merged commit f02f239 into deepmodeling:develop Jan 30, 2026
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