Merge: v2.3.4 updates #179
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On -DINFO defined in cmake, the program will output parameters to std::cerr stream of zgemm and zhegvx.
in ions.cpp (the loop has been moved to esolver by @dyzheng)
into single interface driver_run
by adding value "test_neighbour" to calculation
esolver::init
into esolver
Feature: force correction for implicit solvation model
refactor of the loops ions.cpp and loop_ions.cpp, in preparation for detaching esolver and module_relax
this way I can fully decouple esolver and relaxation
Fix: Scan error when MPI_threads larger than nz
Merge PR172 PR174 PR175 PR178 from abacusmodeling/develop to deepmodeling/develop
this is because the 'istep' fed to Esolver::Run is already istep - 1
since we've updated the 2nd order extrapolation scheme
Refactor: modified Operator::hPsi(), hpsi memory arranged outside
example: add dpgen autotest example
refactor : fully decouple esolver and relaxation ; fix bug in envelop function
Fix: updated key word of total time and replace "-eq" with "=="
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