All pull requests

Pull requests

• Fix silent skip of single-precision PW onsite corrections

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

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• Move the dV/dR sparse conversion out of module_gint and narrow three header includes

  #8230·Critsium-xy opened Oct 28, 2026Collaborator·6 of 7 tasks·

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  2

• Restore boundary-shift propagation for LCAO RT-TDDFT MD

  #8229·ESROAMER opened Oct 28, 2026Collaborator·

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  1

  4

• Fix relaxation termination summary status

  #8226·19hello opened Oct 28, 2026Collaborator·7 tasks done·

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  1

  5

• Governance: enforce approved exceptions and align default-arg severity

  #8225·Critsium-xy opened Oct 28, 2026Collaborator·7 tasks done·

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  6

• Fix LRI force with a spectrally truncated Coulomb metric

  #8224·maki49 opened Oct 27, 2026Collaborator·

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  5

• Feature: Enable noncollinear magnetism and SOC in PW RT-TDDFT with the ETRS propagator and adaptive time stepping

  Collinear/non-collinear/SOC/delta-spinFeatures NeededRefactorrt-TDDFT
  #8223·AsTonyshment opened Oct 27, 2026Collaborator·

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  18

• Feature: periodic self-consistent continuum solvation (SCCS) Step4: delayed start, relax, diagnostics and out_sol

  #8222·LKFEIYI opened Oct 27, 2026·

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  9

• Toolchain: Build libxc with KXC support

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

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  7

• feat(dfpt): v_sc Broyden mixing for the response SCF (default), plus rho_broyden, rho_kerker, v_sc_plain

  DFPT
  #8214·Zanthoxylum opened Oct 24, 2026Collaborator·

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  37

• Precommit: Format toolchain scripts

  Compile & CICD & Docs & Dependencies
  #8213·Growl1234 opened Oct 23, 2026Collaborator·

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  12

• Add RPA smooth coulomb cutoff for V_cut

  EXX/lr-TDDFT/RPA/BSE/GWRefactorTests/Examples
  #8212·HGAQ opened Oct 23, 2026·

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  14

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

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

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  1

  22

• Fix: Backport selected fixes from develop to LTS

  Long-Time Support (LTS)Refactor
  #8202·dyzheng opened Oct 22, 2026Collaborator·

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  11

• Precommit: Format source_hsolver (Part II)

  Refactor
  #8200·Growl1234 opened Oct 22, 2026Collaborator·7 tasks·

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  7

• Precommit: Format source_hsolver (Part I)

  Refactor
  #8199·Growl1234 opened Oct 22, 2026Collaborator·7 tasks·

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  9

• perf(lcao): accelerate RI preparation and Libxc evaluation

  GPU & DCU & HPCInterfaces
  #8193·Stardust0831 opened Oct 20, 2026Collaborator·4 tasks done·

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• Precommit: Format source_md

  Refactor
  #8190·Growl1234 opened Oct 20, 2026Collaborator·7 tasks·

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  1

• Precommit: Format source_esolver

  Refactor
  #8189·Growl1234 opened Oct 20, 2026Collaborator·7 tasks·

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  6

• Precommit: Format CMake files (Part II)

  Compile & CICD & Docs & Dependencies
  #8187·Growl1234 opened Oct 20, 2026Collaborator·7 tasks·

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  11

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

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

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  107

• refactor(ase): consume external abacuslite plugin

  Compile & CICD & Docs & DependenciesInterfacesTests/Examples
  #8175·QuantumMisaka opened Oct 18, 2026Collaborator·8 tasks done·

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  1

  14

• fix(rt): correct hybrid gauge input density for RI exchange

  Refactorrt-TDDFT
  #8170·memii-x opened Oct 18, 2026·5 tasks done·

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  5

• feat(lcao): add optional LibRI GPU contractions through DDLA

  Compile & CICD & Docs & DependenciesEXX/lr-TDDFT/RPA/BSE/GWGPU & DCU & HPCInput&Output
  #8169·Stardust0831 opened Oct 18, 2026Collaborator·3 tasks·

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  13

• CI: skip build/test workflows on docs-only pull requests

  Compile & CICD & Docs & DependenciesStandardsTests/Examples
  #8167·mohanchen opened Oct 17, 2026Collaborator·7 tasks·

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  2