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Commit 67e907f

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wenfei-li
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fix_dos : change varname dos2 to dos_smearing
1 parent dbf3a06 commit 67e907f

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source/src_io/dos.cpp

Lines changed: 5 additions & 5 deletions
Original file line numberDiff line numberDiff line change
@@ -166,7 +166,7 @@ bool Dos::calculate_dos
166166
}
167167
std::vector<double> dos;
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std::vector<double> ene;
169-
std::vector<double> dos2; //dos_smearing
169+
std::vector<double> dos_smearing; //dos_smearing
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171171
#ifdef __MPI
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MPI_Barrier(MPI_COMM_WORLD);
@@ -250,7 +250,7 @@ bool Dos::calculate_dos
250250
//now use Gaussian smearing to smooth the dos and write to DOS_is_smearing
251251
if(GlobalV::MY_RANK==0)
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{
253-
dos2.resize(dos.size()-1);
253+
dos_smearing.resize(dos.size()-1);
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255255
//double b = INPUT.b_coef;
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double b = sqrt(2.0)*GlobalC::en.bcoeff;
@@ -266,7 +266,7 @@ bool Dos::calculate_dos
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// EXPLAIN : if en
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//----------------------------------------------------------
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Gauss = exp(-de2/b/b)/sqrt(3.1415926)/b;
269-
dos2[j] += dos[i]*Gauss;
269+
dos_smearing[j] += dos[i]*Gauss;
270270
}
271271
}
272272

@@ -276,9 +276,9 @@ bool Dos::calculate_dos
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double sum2=0.0;
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for(int i=0;i<dos.size()-1;i++)
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{
279-
sum2 += dos2[i];
279+
sum2 += dos_smearing[i];
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ofs1 <<std::setw(20)<<ene[i]
281-
<<std::setw(20)<<dos2[i]
281+
<<std::setw(20)<<dos_smearing[i]
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<<std::setw(20)<<sum2<<"\n";
283283
}
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}

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