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Refactor ModuleESolver::init_esolver() #6849

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Merged
mohanchen merged 1 commit into from
Jan 13, 2026
Merged

Refactor ModuleESolver::init_esolver() #6849

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30 changes: 17 additions & 13 deletions source/source_esolver/esolver.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -206,41 +206,45 @@ ESolver* init_esolver(const Input_para& inp, UnitCell& ucell)
return new ESolver_GetS();
}
}
if (PARAM.globalv.gamma_only_local)
else if (PARAM.inp.deepks_out_base != "none")
{
if (PARAM.inp.deepks_out_base != "none")
if (PARAM.globalv.gamma_only_local)
{
return new ESolver_DoubleXC<double, double>();
}
else if (PARAM.inp.nspin < 4)
{
return new ESolver_DoubleXC<std::complex<double>, double>();
}
else
{
return new ESolver_KS_LCAO<double, double>();
return new ESolver_DoubleXC<std::complex<double>, std::complex<double>>();
}
}
else if (PARAM.inp.nspin < 4)
else if (PARAM.inp.dm_to_rho)
{
if (PARAM.inp.dm_to_rho)
if (PARAM.globalv.gamma_only_local)
{
return new ESolver_DM2rho<std::complex<double>, double>();
ModuleBase::WARNING_QUIT("ESolver", "dm_to_rho is not implemented for gamma_only");
}
else if (PARAM.inp.deepks_out_base != "none")
else if (PARAM.inp.nspin < 4)
{
return new ESolver_DoubleXC<std::complex<double>, double>();
return new ESolver_DM2rho<std::complex<double>, double>();
}
else
{
return new ESolver_KS_LCAO<std::complex<double>, double>();
return new ESolver_DM2rho<std::complex<double>, std::complex<double>>();
}
}
else
{
if (PARAM.inp.dm_to_rho)
if (PARAM.globalv.gamma_only_local)
{
return new ESolver_DM2rho<std::complex<double>, std::complex<double>>();
return new ESolver_KS_LCAO<double, double>();
}
else if (PARAM.inp.deepks_out_base != "none")
else if (PARAM.inp.nspin < 4)
{
return new ESolver_DoubleXC<std::complex<double>, std::complex<double>>();
return new ESolver_KS_LCAO<std::complex<double>, double>();
}
else
{
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