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Commits on Aug 21, 2026

• Fix: calculate net force after symmetrization (#7846)

  maki49

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• vdW-D4: Switch to smooth cutoff (#7810)

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  Growl1234

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• Feature: Support nspin=4 PW partial-charge and wavefunction `.cube` output (Useful Information to know how to use out_pchg, out_wfc_norm, and out_wfc_re_im functions) (#7841)

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  AsTonyshment

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  mohanchen

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• Remove GlobalC::exx_info entirely, refactor ESolver, add esolver_refactor.cpp, remove most PARAM in ESolver (#7805)

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  mohanchen

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  abacus_fixer

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Commits on Aug 20, 2026

• Fix: refresh v_eff again after updating XC type (#7840)

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  maki49

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Commits on Aug 19, 2026

• Fix 007_PW_UPF201_USPP_Fe in 01_PW: G=0 indexing in nspin=2 mixing inner products (Useful Information to know why previous versions yield small energy differences when nspin=2 with different number…

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  chengleizheng

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  chengleizheng

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• fix(gpu): guard qq synchronization without projectors (#7816)

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  GenZeal-Lin

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  Gengze Lin

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• fix(input): constrain diag_subspace availability (#7835)

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  Stardust0831

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• CMake: build serial unit tests without MPI (#7836)

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  Stardust0831

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• Fix an out-of-bound read in XC module at dft_functional=HF (#7837)

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  maki49

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Commits on Aug 18, 2026

• Fix: add 'template' keyword for dependent eval_wfc_bloch call (#7827)

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  dyzheng

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  dyzheng

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• Fix(dftu): write dm_onsite.txt format matching read_occup_m parser (#7828)

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  dyzheng

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  dyzheng

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• fix: `get_pchg_lcao.cpp` with c^* c^T (#7821)

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  Fisherd99

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• Update installation documentation (#7811)

  Growl1234

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• fix(input): align canonical availability grammar (#7823)

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  Stardust0831

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Commits on Aug 14, 2026

• Refactor: structured INPUT parameter availability (Phase 1) (#7783)

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  Stardust0831

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• Feature: Enable correct Laplacian-dependent meta-GGA calculations (#7820)

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  AsTonyshment

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• Fix(pw): correct atom index in non-collinear non-local stress on GPU (#7818)

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  dyzheng

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• CMake: Revise ABACUS executable naming logic (#7792)

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  Growl1234

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  ZhouXY-PKU

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Commits on Aug 13, 2026

• fix(xc): implement proper Laplacian calculation for SCAN-L functional (Useful Information for discussing implementation of SCAN-L functional) (#7457)

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• feat: add BSE module (#7718)

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  Fisherd99

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• feat: add distributed MdCell domain decomposition (#7768)

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• Refactor: normalize and shorten source filenames for consistency (#7797)

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  mohanchen

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  abacus_fixer

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Commits on Aug 12, 2026

• feat: support native binary H(R)/S(R) output (#7806)

  goodchong

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• perf: parallelize periodic image generation (#7808)

  Audrey-777

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• perf: parallelize neighbor-list construction (#7807)

  Audrey-777

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• fix soc symmetry according to #7664 convention (#7804)

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  maki49

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  mohanchen

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• Rename some files and refactor some inclusions (#7796)

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  mohanchen

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  abacus_fixer

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• Move some files from source_io to source_base and source_cell (#7789)

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  mohanchen

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  abacus_fixer

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Commits on Aug 11, 2026

• Refactor source_psi, remove some unnecessary dependency (#7675)

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  mohanchen

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  abacus_fixer

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• Fix(input): reject esolver_type=lr with a self-consistent calculation (#7779)

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  Stardust0831

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  mohanchen

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Commits on Aug 10, 2026

• Add runtime validation for ELPA complex BLOCK2 kernels (#7790)

  Growl1234

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• CMake: Move __DFTD4 to global feature definitions (#7793)

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  Growl1234

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• CMake: Fix RapidJSON target for non-MPI builds (#7795)

  Growl1234

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Commits on Aug 9, 2026

• Toolchain: Workaround incorrect ELPA results with GCC 15.2 (#7784)

  Growl1234

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