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Commits on Jan 20, 2026

• Update LAPACK solver (#6870)

  Critsium-xy

  authored
  88bdd3b

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• Update source files for NEP installation script (#6871)

  ZhouXY-PKU

  authored
  6ad3b99

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Commits on Jan 19, 2026

• Test: Add GPU tests for dav_subspace (#6869)

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  Cstandardlib

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  98d9bbb

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Commits on Jan 18, 2026

• change uplo to U for lapack_hegvd to be consistent with former routine (#6868)

  Cstandardlib

  authored
  a53930b

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Commits on Jan 17, 2026

• Bump version to v3.9.0.23 (#6866)

  Cstandardlib

  authored
  72dca3f

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• Optimize install_openmpi.sh script (#6863)

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  19hello

  and

  Fei Yang

  authored
  7a09883

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Commits on Jan 15, 2026

• Fix: skip MPI test for lapack UT (#6861)

  dyzheng

  authored
  ed0b428

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• Fix cudaErrIllegalAddress by using correct device pointer (#6862)

  Cstandardlib

  authored
  880cd2f

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• Fix&Doc: do not overwrite k-point weights for non-MP k-point lists (#6857)

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  dyzheng

  authored
  e003d49

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• Fix: doc of soc (#6856)

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  dyzheng

  and

  root

  authored
  48bfcaa

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• Fix: no k weights for get_wf (#6859)

  dyzheng

  authored
  08a5e4f

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Commits on Jan 13, 2026

• Fix: correct nvc++ compiler compatibility issues (#6854)

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  dzzz2001

  authored
  f96f14e

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• Fix: Yet another wrong index in `act_op_kpar` for spin-polarized calculations in EXX PW (#6847)

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  Flying-dragon-boxing

  authored
  cc9848e

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• Fix: Al ESP result discrepancy & add wavefunction normalization (#6853)

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  lyb9812

  and

  sunliang98

  authored
  1348a16

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• Refactor: simplify snap_psibeta_half_tddft.cpp (#6846)

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  dzzz2001

  authored
  f7deafc

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• Refactor ModuleESolver::init_esolver() (#6849)

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  linpeize

  and

  PeizeLin

  authored
  3fcf5f7

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Commits on Jan 12, 2026

• Refactor and Fix Parallel Handling of Plane Wave Counts in Eigenvalue Output (#6844)

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  A-006

  authored
  cd4d234

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Commits on Jan 10, 2026

• [Refactor] Complete rework of diago_lapack (#6843)

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  Critsium-xy

  authored
  8ec123c

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Commits on Jan 9, 2026

• [Fix] Fix Docker directory permissions in workflow (#6845)

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  ZhouXY-PKU

  authored
  9fd83e5

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• Feature: `init_chg hr` for initializing charge density with hrs1_nao.csr (#6791)

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  dyzheng

  and

  dyzheng

  authored
  fb7a145

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• [Refactor] Complete clean exposed mathematical library interfaces (#6838)

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  Critsium-xy

  authored
  72f55c4

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• reduce FFT calls in Leps2 (#6839)

  LKFEIYI

  authored
  91476ef

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Commits on Jan 7, 2026

• Refactor: Remove dependency on shell commands for file operations (#6826)

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  A-006

  authored
  24ff385

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• Refactor implicit solvation model (#6836)

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  LKFEIYI

  authored
  b07057f

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• add DensityMatrix<complex,complex> (#6834)

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  linpeize

  and

  PeizeLin

  authored
  226ecb9

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• Add check for init_wfc to use proper atomic/random starting wavefunction (#6833)

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  Cstandardlib

  authored
  23309f2

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• Refactor class DensityMatrix. (#6831)

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  linpeize

  and

  PeizeLin

  authored
  586f54c

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• Simplify Lmax and rmesh in Matrix_Orbs and Center2_Orb (#6829)

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  linpeize

  and

  PeizeLin

  authored
  9c04ee6

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• Fix: Resolve memory leak when using solvation model (#6835)

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  LKFEIYI

  authored
  427105d

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Commits on Jan 5, 2026

• [Refactor] Replaced all exposed mathematical library interface (#6828)

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  Critsium-xy

  authored
  80cc432

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• Add new tests in the integrate tests of LCAO gamma only calculations and update the index to count relax/MD steps, now all steps start from 1, not 0 (#6821)

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  mohanchen

  authored
  2156598

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• change reduce (#6827)

  A-006

  authored
  06751a0

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Commits on Jan 4, 2026

• Fix kpar check for DSP (#6825)

  Cstandardlib

  authored
  140b272

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Commits on Jan 3, 2026

• Simplify `Lmax` and `ORB_gaunt_table` in `Center2_Orb` and `Matrix_Orbs` (#6819)

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  linpeize

  and

  PeizeLin

  authored
  5defffe

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• Update version to 3.9.0.22. (#6820)

  ErjieWu

  authored
  95bb8ee

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