v3.5.3
Feature
- Refactor&Feature: Rebuild rapidjson module. by @grysgreat in #3545
- Feature: Add json array support and unit test. by @grysgreat in #3584
- Feature: support double_grid in mix_rho_recip_new() by @WHUweiqingzhou in #3577
- Feature: TDDFT velocity gague by @ESROAMER in #3576
- Feature: Pythonization of math_integral in Module Base by @jieli-matrix in #3574
Refactor
- Refactor: namespace ABFs_Construct::PCA by @PeizeLin in #3546
- Refactor: charge_mixing::set_mixing() by @WHUweiqingzhou in #3596
- Refactor: split Charge_Mixing::set_mixing into set_mixing and init_mixing by @WHUweiqingzhou in #3601
- Refactor: let Charge_Mixing::inner_product_recip_hartree supports all cases by @WHUweiqingzhou in #3604
- Refactor: rename Kerker_screen_recip() and add more UnitTests to protect Charge_Mixing by @WHUweiqingzhou in #3609
Bug Fixes
- Fix: add docs and example to show how to perform magnetic calculations of atomic systems by @WHUweiqingzhou in #3571
- Fix the bug that the Wannier90 interface does not report error informations when reading files under MPI. by @jingan-181 in #3563
- Fix: Address compilation warnings in clang compiler by @denghuilu in #3593
- Fix: memory leak in module_nao by @dyzheng in #3602
Build
- CUDA: Add device error check for CUDA API and device function by @denghuilu in #3575
- GPU: Add rocm error check by @denghuilu in #3585
Documentation
Full Changelog: v3.5.2...v3.5.3