Refactor: Remove global dependence of descriptor, orbital_precalc, v_delta_precalc in DeePKS. #5808
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What's changed?
d_tensor
(descriptor) from LCAO_deepks and change functions related to descriptor in DeePKS.cal_gdmx()
in DeePKS into two separate functionscal_gdmx()
andcal_gdmepsl()
, rearrange the calculation related to DeePKS in FORCE_STRESS.cpp to make it same as other parts for force&stress calculations.allsum_deepks()
is no longer used now.