Feature Updates

• Feature: out_mat_t, which prints the kinetic energy matrix

• Feature: OpenMP for rho init and charge mixing

• Feature: Add ROCm implementation

• Feature: Enable SOC calculation with DeePKS mpdel loaded

• Feature: output R matrix at each MD step

• Perf: better OpenMP parallelization for cal_force_cc and cal_force_scc

• Perf: reuse ylm vector to avoid allocation

• Bug: fix dftu force and stress

• Bug: fix bug in EXX nscf calculation

More information about latest updates (e.g. Test, Refactor, Bug fix and Documentation) can be found on our Github or Gitee repositories