v3.2.2

What's Changed

Feature

• Feature: enable append output mode for Mulliken charge in md by @YuLiu98 in deepmodeling#2261
• Feature: Add new container implementation for ABACUS. by @denghuilu in deepmodeling#2304

Refactor

• Refactor: Use a unified function to output charge density and potential in real space. by @sunliang98 in - deepmodeling#2203
• Refactor: update md restart mode by @YuLiu98 in deepmodeling#2236
• Refactor: Fix the effective digits in .cube file. by @sunliang98 in deepmodeling#2276
• Refactor: delete GlobalC in module_relax/relax_old by @YuLiu98 in deepmodeling#2335
• Refactor: delete unused code in src_ri ; remove GlobalC in module_ri, src_ri by @maki49 in deepmodeling#2325

Bug fix

• Bug fix: minor bug fixed for deepks stress calculation by @ouqi0711 in deepmodeling#2260
• Fix: bug of dSpherical_Bessel_dx function by @Qianruipku in deepmodeling#2240
• fix memory leak problem of class Record_adj by @lcclcc233 in deepmodeling#2294
• Fix blas connector in LibRI, then comment zdotc out in module_base by @maki49 in deepmodeling#2193
• Fix the error when using DFT+U without setting ks_solver by @Satinelamp in deepmodeling#2319

Test

• Test: unit tests for module_symmetry (part 1) by @maki49 in deepmodeling#2223
• Test: add a serial UT for pw_basis_k by @hongriTianqi in deepmodeling#2257
• Test:UnitTest for OMP_PARALLEL and TRY_OMP_PARALLEL by @SeptemberMy in deepmodeling#2239
• Test: add UT for write_wfc_nao by @hongriTianqi in deepmodeling#2279
• Test: add a serial ut for nscf_band by @hongriTianqi in deepmodeling#2277
• Test: complete unit test of functions in global_file by @kirk0830 in deepmodeling#2327
• Test: add a ut for function in read_wfc_nao by @hongriTianqi in deepmodeling#2329

New Contributors

• @xuan112358 made their first contribution in deepmodeling#2255
• @lcclcc233 made their first contribution in deepmodeling#2294

Full Changelog: v3.2.1...v3.2.2