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mpi_bcast energies
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source/module_esolver/esolver_ks_pw.cpp

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@@ -441,6 +441,7 @@ void ESolver_KS_PW<T, Device>::update_pot(const int istep, const int iter)
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}
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this->pelec->pot->update_from_charge(this->pelec->charge, &GlobalC::ucell);
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this->pelec->f_en.descf = this->pelec->cal_delta_escf();
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MPI_Bcast(&(this->pelec->f_en.descf), 1, MPI_DOUBLE, 0, PARAPW_WORLD);
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}
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else
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{

source/module_esolver/esolver_sdft_pw.cpp

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@@ -231,6 +231,7 @@ void ESolver_SDFT_PW::hamilt2density(int istep, int iter, double ethr)
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}
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#endif
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}
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MPI_Bcast(&(this->pelec->f_en.deband), 1, MPI_DOUBLE, 0, PARAPW_WORLD);
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}
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double ESolver_SDFT_PW::cal_energy()

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