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v3.2.5

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@hongriTianqi hongriTianqi released this 16 Jun 07:27
· 1310 commits to develop since this release
c6c7bf3

Feature:

Refactor

  • use rho/kin_r rather than Charge in Gint_inout interface by @maki49 in #2591
  • move GlobalC::GridD from global_fp.h to sltk_grid_driver.h by @hongriTianqi in #2584
  • new class "RadialSet" and "AtomicRadials" for module_nao by @jinzx10 in #2585
  • move write_potential to ModuleIO by @hongriTianqi in #2582
  • output efermi in pw basis by @YuLiu98 in #2604
  • new class "BetaRadials" and "RadialCollection" for module_nao by @jinzx10 in #2610
  • Add an unified function to output SCF convergence and fermi energy by @pxlxingliang in #2618
  • Remove unnecessary template variables from module esolver. by @denghuilu in #2621
  • remove "using namespace std" to avoid namespace pollution by @Satinelamp in #2644

Bug fix

Test

Docs

Full Changelog: v3.2.4...v3.2.5