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v3.9.0

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@WHUweiqingzhou WHUweiqingzhou released this 27 Dec 07:10
· 47 commits to develop since this release
68735ed

What's Changed

Feature

Fix

Docs

  • Docs: move doxygen to headers for DiagoDavid class and add some new by @Cstandardlib in #5736
  • Docs: update the docs of exx_ccp_rmesh_times and exx_real_number by @Chentao168 in #5758

Refactor

  • Refactor: add const for Grid_Driver by @YuLiu98 in #5725
  • Refactor: Change some functions in module_deepks into template. by @ErjieWu in #5731
  • Refactor:remove GlobalC::ucell in module_elesctate by @A-006 in #5730
  • Refactor: remove GlobalC::solvent_model by @YuLiu98 in #5735
  • Refactor:Remove GlobalC::ucell by @A-006 in #5737
  • Refactor: remove GlobalC::Pgrid by @Qianruipku in #5740
  • Refactor: split pseudopot_cell_vl and pseudopot_cell_vnl by @YuLiu98 in #5743
  • Refactor: refactor neighbour atom search but no change on algo by @goodchong in #5759
  • Refactor: remove the Psi Constructors using int* ngk_in by @haozhihan in #5745
  • Refactor: Replace nlm_save in DeePKS by HContainer object phialpha. by @ErjieWu in #5766

Full Changelog: v3.8.5...v3.9.0