All pull requests

Pull requests

• feat(pw): expose the serial basis assembly as PW_Basis::init_serial

  DFPTRefactorTests/Examples
  #8268·Zanthoxylum opened Nov 2, 2026Collaborator·

  ·

• Precommit: Format other bash scripts (Part III)

  #8267·Growl1234 opened Nov 2, 2026Collaborator·

  ·

• Precommit: Format other bash scripts (Part II)

  #8266·Growl1234 opened Nov 2, 2026Collaborator·

  ·

• Precommit: Format other bash scripts (Part I)

  #8265·Growl1234 opened Nov 2, 2026Collaborator·

  ·

• feat(hsolver): add focused PPCG solver support

  #8264·cheerly-pku opened Nov 2, 2026·

  ·

• refactor(dfpt): route the first-order core response through module_charge

  DFPTRefactor
  #8263·Zanthoxylum opened Nov 2, 2026Collaborator·

  ·
  10

• refactor(dfpt): move the rho mixing family to dfpt_rho_mix.cpp

  DFPTRefactor
  #8262·Zanthoxylum opened Nov 2, 2026Collaborator·

  ·
  7

• refactor(dfpt): split the DFPT_PW_Data response-field slots to dfpt_pw_data_resp.cpp

  DFPTRefactor
  #8261·Zanthoxylum opened Nov 2, 2026Collaborator·

  ·
  4

• refactor(dfpt): move the ASR family to dfpt_phon_asr.cpp

  DFPTRefactor
  #8260·Zanthoxylum opened Nov 2, 2026Collaborator·

  ·
  8

• refactor(dfpt): split the oversized DFPT serial tests along the source boundaries

  DFPTRefactorTests/Examples
  #8259·Zanthoxylum opened Nov 2, 2026Collaborator·

  ·
  14

• Fix: allow DSP builds without C_PACK by falling back to the configured LAPACK provider

  BugsCompile & CICD & Docs & DependenciesGPU & DCU & HPC
  #8258·DanielZhao0432 opened Nov 2, 2026Collaborator·7 tasks done·

  ·
  1

  4

• perf(lcao): batch RI radial table construction on CUDA

  #8257·Stardust0831 opened Nov 2, 2026Collaborator·

  ·
  7

• perf(lcao): reuse common terms across magnetic components

  #8256·Stardust0831 opened Nov 2, 2026Collaborator·

  ·
  9

• refactor(rt): make block-cyclic layout access explicit via para_2d()

  #8254·kirk0830 opened Nov 1, 2026Collaborator·

  ·
  11

• Fix LR optical spin weights, density restart fallback, and CSR header parsing

  #8253·maki49 opened Nov 1, 2026Collaborator·

  ·
  34

• Feature: periodic self-consistent continuum solvation (SCCS) last step: solvent-aware cavity

  #8252·LKFEIYI opened Nov 1, 2026·

  ·
  19

• Fix: correct My sign in noncollinear Mulliken magnetism

  BugsRefactor
  #8250·hujieting opened Oct 30, 2026Collaborator·7 tasks done·

  ·
  3

• Governance: block unit tests outside a flat unittests/ directory and sources there without a test_ prefix

  Standards
  #8245·Critsium-xy opened Oct 30, 2026Collaborator·7 tasks done·

  ·
  3

• Unify DFT+U occupation-matrix output across PW and LCAO

  DFT+URefactor
  #8242·lanshuyue opened Oct 30, 2026Collaborator·

  ·
  7

• Reduce repeated onsite projector setup and cover mixed orbital meshes

  #8239·lanshuyue opened Oct 29, 2026Collaborator·7 tasks done·

  ·
  5

• feat: add CPU SNAP potential support

  Features NeededMachine Learning & AIMD & LAM
  #8235·19hello opened Oct 29, 2026Collaborator·3 tasks done·

  ·
  51

• Fix silent skip of single-precision PW onsite corrections

  Bugs
  #8231·lanshuyue opened Oct 28, 2026Collaborator·5 tasks done·

  ·
  5

• Toolchain: Build libxc with KXC support

  Compile & CICD & Docs & Dependencies
  #8218·Growl1234 opened Oct 25, 2026Collaborator·

  ·
  7

• Fix GPU single-precision DAV convergence, stress accuracy and meta-GGA XC contributions

  BugsGPU & DCU & HPCPerformance
  #8204·dyzheng opened Oct 23, 2026Collaborator·

  ·
  1

  22

• feat(librpa): strict 2D/3D Coulomb kernels and 2D reader-v1 producer outputs

  Features NeededRefactor
  #8176·AroundPeking opened Oct 19, 2026·

  ·
  122