Deepks : some bug fixes; pull from develop branch#573
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update cmake file for openmp
merge Develop to update_MD
fixed bug of starting charge density extrapolation in PW code
2. update tools/opt_orb_pytorch_dpsi origin V.sqrt()
Conflicts: tools/opt_orb_pytorch_dpsi/main.py
2. In opt_orb_pytorch_dpsi, fix bug in cal_weight() "not flag_same_band" normalization 3. In opt_orb_pytorch_dpsi, fix bug in read_istate()
…without force in gamma_only
Merge develop branch to update_MD
add opt_orb_pytorch_dpsi
… PW base < range >forces.cpp and stress_func_nl.cpp
< perf >optimized non-local part for Stress and Forces calculation in PW base
…istant for running file and screen < range >timer.cpp ELEC_scf.cpp
< fix > 2 time log bug
…js.org/deepmodeling/abacus-develop into develop Conflicts: source/src_lcao/LCAO_hamilt.cpp source/src_lcao/LCAO_matrix.cpp
Reconstruction of md is finished
Merge ABACUS_2.2.0_beta to Develop branch
merge develop branch to update_MD branch
Update doc for MD parameters
Langevin method in MD
Merge update_MD branch to develop branch
wenfei-li
changed the title
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