v3.7.4

What's Changed

Feature

• Feature: update LibRI v0.2.0 by @PeizeLin in deepmodeling#4830
• Feature: support control on precison of charge cube output by @kirk0830 in deepmodeling#4958
• Feature: Add diago_dav_subspace module to pyabacus by @a1henu in deepmodeling#4883
• Feature: output T(k) by @jinzx10 in deepmodeling#4982

Fix

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

Refactor

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

Tools

• Toolchain : libcomm version update by @QuantumMisaka in deepmodeling#4966
• add elpa gpu in docker cuda image by @goodchong in deepmodeling#4980

• update version by @pxlxingliang in deepmodeling#5001

New Contributors

• @a1henu made their first contribution in deepmodeling#4883

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