v2.2.3
Feature
- Dipole correction by @YuLiu98 in deepmodeling#927
- Add module_pw to Cmakelists by @Qianruipku in deepmodeling#935
- Build(docker): add an image for running. by @caic99 in deepmodeling#941
- feature : add continuous writing function for running_md.log by @YuLiu98 in deepmodeling#940
Bug fix
- fix(MD): init matrix in write_electric_pot function by @YuLiu98 in deepmodeling#934
- fix: MD stuck by @Qianruipku in deepmodeling#938
Refactor
- Refactor: Using HSolver in PW code,replace evc with psi in GlobalC::wf by @dyzheng in deepmodeling#923
- CI: build libxc by default. by @caic99 in deepmodeling#924
- Docs: update instructions on installing abacus. by @caic99 in deepmodeling#943
- add some example for plotting PDOS and PBAND by @1041176461 in #142
Test
- example(performance): add the collection of "Maximum resident" by @pxlxingliang in deepmodeling#922
- test(integrate): HSE calculation with water by @hongriTianqi in deepmodeling#939
- test(parallel): add UT of functions in parallel_reduce.cpp by @hongriTianqi in deepmodeling#936
Full Changelog: v2.2.2...v2.2.3