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remove .dat in LOWF_GAMMA_S1.dat because gitignore
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2 files changed

+23
-2
lines changed

2 files changed

+23
-2
lines changed

source/src_lcao/test/gamma_rho_mock.h

Lines changed: 1 addition & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -990,7 +990,7 @@ void Local_Orbital_Charge::gamma_file(const Grid_Technique &gt, Local_Orbital_wf
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lowf.wfc_gamma[is].create(this->ParaV->ncol, this->ParaV->nrow);
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lowf.wfc_gamma[is].zero_out();
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std::stringstream ss;
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ss << GlobalV::global_out_dir << "LOWF_GAMMA_S" << is + 1 << ".dat";
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ss << GlobalV::global_out_dir << "LOWF_GAMMA_S" << is + 1;
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// std::cout << " name is = " << ss.str() << std::endl;
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std::ifstream ifs;
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if (GlobalV::DRANK == 0)
@@ -1024,7 +1024,6 @@ void Local_Orbital_Charge::gamma_file(const Grid_Technique &gt, Local_Orbital_wf
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ModuleBase::GlobalFunc::READ_VALUE(ifs, ib);
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ModuleBase::GlobalFunc::READ_VALUE(ifs, GlobalC::wf.ekb[GlobalV::CURRENT_SPIN][i]);
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ModuleBase::GlobalFunc::READ_VALUE(ifs, GlobalC::wf.wg(GlobalV::CURRENT_SPIN, i));
1027-
// std::cout << " ib=" << ib << std::endl;
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assert((i + 1) == ib);
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for (int j = 0; j < GlobalV::NLOCAL; j++)
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{
Lines changed: 22 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -0,0 +1,22 @@
1+
4 (number of bands)
2+
10 (number of orbitals)
3+
1 (band)
4+
-7.57096415e-01 (Ry)
5+
2.00000000e+00 (Occupations)
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-5.37362289e-01 -3.68451648e-02 -1.55131570e-02 -3.60271719e-16 1.39998582e-16
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-5.37362289e-01 -3.68451648e-02 1.55131570e-02 5.28756935e-16 -1.03513801e-16
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2 (band)
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3.05607270e-01 (Ry)
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0.00000000e+00 (Occupations)
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1.86655079e+00 -5.99493369e-01 6.23278504e-02 -1.66006150e-15 -4.65531904e-16
12+
-1.86655079e+00 5.99493369e-01 6.23278504e-02 3.60263949e-16 2.61935362e-17
13+
3 (band)
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7.03394915e-01 (Ry)
15+
0.00000000e+00 (Occupations)
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3.77198799e-02 5.60791988e-01 2.09803877e-02 2.14904794e-16 7.93346601e-17
17+
3.77198799e-02 5.60791988e-01 -2.09803877e-02 2.03145382e-17 -4.28248751e-17
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4 (band)
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1.63463390e+00 (Ry)
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0.00000000e+00 (Occupations)
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-1.12080703e+00 7.94507151e-01 -6.75140264e-01 2.98940635e-15 7.81847876e-16
22+
1.12080703e+00 -7.94507151e-01 -6.75140264e-01 7.42751109e-16 4.37897191e-16

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