Merge: update to V2.3.3#181
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…rties.sh (deepmodeling#1069)" This reverts commit 451ae61.
…velop Revert "test(integrate): use awk to implement sum_file in catch_properties.sh"
Test: fix matrix dimension in BLAS test
Fix: print psi in nscf calculation for LCAO code
Build: add python3 as requirement
Fix&Test: scan functional in PW code and added test case 116_PW_scan_Si2
docs: improve dos, add BSSE and wfc in example dir
* Build: add cmake build type support * Build: add Interprocedural optimization
* Build: Notify user on cloning git repo in configure * Build: add ccache support
test(integrate):the test of output of H/S and H(R)/S(R) matrixs
fix: kpar>1 & basis=lcao not supported yet
docs: fix a typo in `features.md`
gamma_only = 1
perf: accelerate nonlocal force for multik
Fix: HSE without exx_separate_loop
fix: generate KPT file when pw calculation is used with gamma_only = 1
Fix: use vector to avoid compiler error on clang
docs: update dpgen.md
Build: add executable file to docker image
someone uses a very small unitcell
fix : increase mxr in Ewald, in case
fix: no update of STRU_NOW.cif if only 1 ion step in 1 cell step
fix : error in tddft codes
fix: memory leak in LCAO calculations
* Update input-main.md Delete the link for the deepks branch, which is not available anymore. * Update docs/input-main.md Co-authored-by: Chun Cai <amoycaic@gmail.com> Co-authored-by: Chun Cai <amoycaic@gmail.com>
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