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[pre-commit.ci lite] apply automatic fixes
1 parent 28b8e58 commit 80545b8

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+18
-9
lines changed

1 file changed

+18
-9
lines changed

source/module_ri/conv_coulomb_pot_k.cpp

Lines changed: 18 additions & 9 deletions
Original file line numberDiff line numberDiff line change
@@ -11,8 +11,9 @@ namespace Conv_Coulomb_Pot_K
1111
const std::vector<double> & psif)
1212
{
1313
std::vector<double> psik2_ccp(psif.size());
14-
for( size_t ik=0; ik<psif.size(); ++ik )
14+
for( size_t ik=0; ik<psif.size(); ++ik ) {
1515
psik2_ccp[ik] = ModuleBase::FOUR_PI * psif[ik];
16+
}
1617
return psik2_ccp;
1718
}
1819

@@ -24,8 +25,9 @@ namespace Conv_Coulomb_Pot_K
2425
const double hf_Rcut)
2526
{
2627
std::vector<double> psik2_ccp(psif.size());
27-
for (size_t ik = 0; ik < psif.size(); ++ik)
28+
for (size_t ik = 0; ik < psif.size(); ++ik) {
2829
psik2_ccp[ik] = ModuleBase::FOUR_PI * psif[ik] * (1 - std::cos(k_radial[ik] * hf_Rcut));
30+
}
2931
return psik2_ccp;
3032
}
3133

@@ -36,8 +38,9 @@ namespace Conv_Coulomb_Pot_K
3638
const double hse_omega)
3739
{
3840
std::vector<double> psik2_ccp(psif.size());
39-
for( size_t ik=0; ik<psif.size(); ++ik )
41+
for( size_t ik=0; ik<psif.size(); ++ik ) {
4042
psik2_ccp[ik] = ModuleBase::FOUR_PI * psif[ik] * (1-std::exp(-(k_radial[ik]*k_radial[ik])/(4*hse_omega*hse_omega)));
43+
}
4144
return psik2_ccp;
4245
}
4346

@@ -50,8 +53,9 @@ namespace Conv_Coulomb_Pot_K
5053
const double hf_Rcut)
5154
{
5255
std::vector<double> psik2_ccp(psif.size());
53-
for( size_t ik=0; ik<psif.size(); ++ik )
56+
for( size_t ik=0; ik<psif.size(); ++ik ) {
5457
psik2_ccp[ik] = ModuleBase::FOUR_PI * psif[ik] * ( std::exp(-(k_radial[ik]*k_radial[ik])/(4*hse_omega*hse_omega)) - std::cos(k_radial[ik] * hf_Rcut) );
58+
}
5559
// psik2_ccp[ik] = ModuleBase::FOUR_PI * psif[ik] * ( std::exp(-(k_radial[ik]*k_radial[ik])/(4*hse_omega*hse_omega)) );
5660
return psik2_ccp;
5761
}
@@ -82,15 +86,19 @@ namespace Conv_Coulomb_Pot_K
8286
const double dr = orbs.get_rab().back();
8387
const int Nr = (static_cast<int>(orbs.getNr()*rmesh_times)) | 1;
8488
std::vector<double> rab(Nr);
85-
for( size_t ir=0; ir<std::min(orbs.getNr(),Nr); ++ir )
89+
for( size_t ir=0; ir<std::min(orbs.getNr(),Nr); ++ir ) {
8690
rab[ir] = orbs.getRab(ir);
87-
for( size_t ir=orbs.getNr(); ir<Nr; ++ir )
91+
}
92+
for( size_t ir=orbs.getNr(); ir<Nr; ++ir ) {
8893
rab[ir] = dr;
94+
}
8995
std::vector<double> r_radial(Nr);
90-
for( size_t ir=0; ir<std::min(orbs.getNr(),Nr); ++ir )
96+
for( size_t ir=0; ir<std::min(orbs.getNr(),Nr); ++ir ) {
9197
r_radial[ir] = orbs.getRadial(ir);
92-
for( size_t ir=orbs.getNr(); ir<Nr; ++ir )
98+
}
99+
for( size_t ir=orbs.getNr(); ir<Nr; ++ir ) {
93100
r_radial[ir] = orbs.get_r_radial().back() + (ir - orbs.getNr() + 1) * dr;
101+
}
94102

95103
Numerical_Orbital_Lm orbs_ccp;
96104
orbs_ccp.set_orbital_info(
@@ -118,8 +126,9 @@ namespace Conv_Coulomb_Pot_K
118126
{
119127
for(int ir=orbs.getNr()-1; ir>=0; --ir)
120128
{
121-
if(std::abs(orbs.getPsi(ir))>=psi_threshold)
129+
if(std::abs(orbs.getPsi(ir))>=psi_threshold) {
122130
return static_cast<double>(ir)/orbs.getNr();
131+
}
123132
}
124133
return 0.0;
125134
}

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