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v3.7.4

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@pxlxingliang pxlxingliang released this 26 Aug 05:04
· 211 commits to develop since this release
0324167

What's Changed

Feature

Fix

  • Fix an EXX bug with out_mat_hs2 by @maki49 in #4956
  • fix bug in catching properties for out_eband_terms by @maki49 in #4962
  • Fix: Fix the I/O problem of Rappe pseudopotential caused by the change of mesh. by @sunliang98 in #4973
  • Fix: do not always output HexxR but only for NSCF by @maki49 in #4994
  • Fix: enable scf_ene_thr for EXX outer loop by @maki49 in #4993
  • Fix compile warnings about after_scf by @maki49 in #4996

Refactor

  • Refactor: rescale vel to temperature when read in vel by @YuLiu98 in #4953
  • Refactor: reset_diag_ethr && cal_hsolve_error func in hsolver by @haozhihan in #4940
  • Refactor: Remove Dependency on Custom Class const_nums in david by @Cstandardlib in #4950
  • Refactor: update charge extra to accelerate md by @YuLiu98 in #4954
  • Refactor: Remove the inheritance relationship between hsolverLCAO/hsolverLIP and hsolver by @haozhihan in #4960
  • Refactor: remove template in Chebyshev by @Qianruipku in #4972
  • Performance: heterogeneous operator of npw loop in force_cc. by @grysgreat in #4978

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Full Changelog: v3.7.3...v3.7.4