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AsTonyshmentAsTonyshment
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Initialize double aa, bb and one line for one variable
1 parent 62df525 commit fde9d05

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4 files changed

+44
-22
lines changed

4 files changed

+44
-22
lines changed

‎source/module_hamilt_lcao/module_tddft/bandenergy.cpp‎

Lines changed: 6 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -84,7 +84,8 @@ void compute_ekb(const Parallel_Orbitals* pv,
8484
{
8585
for (int j = 0; j < pv->ncol_bands; j++)
8686
{
87-
double aa = 0.0, bb = 0.0;
87+
double aa = 0.0;
88+
double bb = 0.0;
8889
aa = Eij[i * pv->ncol + j].real();
8990
bb = Eij[i * pv->ncol + j].imag();
9091
if (std::abs(aa) < PARAM.inp.td_print_eij)
@@ -216,7 +217,8 @@ void compute_ekb_tensor(const Parallel_Orbitals* pv,
216217
{
217218
for (int j = 0; j < pv->ncol_bands; j++)
218219
{
219-
double aa = 0.0, bb = 0.0;
220+
double aa = 0.0;
221+
double bb = 0.0;
220222
aa = Eij.data<std::complex<double>>()[i * pv->ncol + j].real();
221223
bb = Eij.data<std::complex<double>>()[i * pv->ncol + j].imag();
222224
if (std::abs(aa) < PARAM.inp.td_print_eij)
@@ -352,7 +354,8 @@ void compute_ekb_tensor_lapack(const Parallel_Orbitals* pv,
352354
{
353355
for (int j = 0; j < nband; j++)
354356
{
355-
double aa = 0.0, bb = 0.0;
357+
double aa = 0.0;
358+
double bb = 0.0;
356359
aa = Eij_cpu.data<std::complex<double>>()[i * nlocal + j].real();
357360
bb = Eij_cpu.data<std::complex<double>>()[i * nlocal + j].imag();
358361
if (std::abs(aa) < PARAM.inp.td_print_eij)

‎source/module_hamilt_lcao/module_tddft/norm_psi.cpp‎

Lines changed: 18 additions & 9 deletions
Original file line numberDiff line numberDiff line change
@@ -79,7 +79,8 @@ void norm_psi(const Parallel_Orbitals* pv,
7979
{
8080
for (int j = 0; j < pv->nrow; j++)
8181
{
82-
double aa, bb;
82+
double aa = 0.0;
83+
double bb = 0.0;
8384
aa = Cij[i * pv->ncol + j].real();
8485
bb = Cij[i * pv->ncol + j].imag();
8586
if (std::abs(aa) < 1e-8)
@@ -175,7 +176,8 @@ void norm_psi(const Parallel_Orbitals* pv,
175176
{
176177
for (int j = 0; j < pv->ncol; j++)
177178
{
178-
double aa, bb;
179+
double aa = 0.0;
180+
double bb = 0.0;
179181
aa = psi_k[i * pv->ncol + j].real();
180182
bb = psi_k[i * pv->ncol + j].imag();
181183
if (std::abs(aa) < 1e-8)
@@ -196,7 +198,8 @@ void norm_psi(const Parallel_Orbitals* pv,
196198
{
197199
for (int j = 0; j < pv->ncol; j++)
198200
{
199-
double aa, bb;
201+
double aa = 0.0;
202+
double bb = 0.0;
200203
aa = tmp1[i * pv->ncol + j].real();
201204
bb = tmp1[i * pv->ncol + j].imag();
202205
if (std::abs(aa) < 1e-8)
@@ -282,7 +285,8 @@ void norm_psi_tensor(const Parallel_Orbitals* pv,
282285
{
283286
for (int j = 0; j < pv->nrow; j++)
284287
{
285-
double aa, bb;
288+
double aa = 0.0;
289+
double bb = 0.0;
286290
aa = Cij.data<std::complex<double>>()[i * pv->ncol + j].real();
287291
bb = Cij.data<std::complex<double>>()[i * pv->ncol + j].imag();
288292
if (std::abs(aa) < 1e-8)
@@ -383,7 +387,8 @@ void norm_psi_tensor(const Parallel_Orbitals* pv,
383387
{
384388
for (int j = 0; j < pv->ncol; j++)
385389
{
386-
double aa, bb;
390+
double aa = 0.0;
391+
double bb = 0.0;
387392
aa = psi_k.data<std::complex<double>>()[i * pv->ncol + j].real();
388393
bb = psi_k.data<std::complex<double>>()[i * pv->ncol + j].imag();
389394
if (std::abs(aa) < 1e-8)
@@ -404,7 +409,8 @@ void norm_psi_tensor(const Parallel_Orbitals* pv,
404409
{
405410
for (int j = 0; j < pv->ncol; j++)
406411
{
407-
double aa, bb;
412+
double aa = 0.0;
413+
double bb = 0.0;
408414
aa = tmp1.data<std::complex<double>>()[i * pv->ncol + j].real();
409415
bb = tmp1.data<std::complex<double>>()[i * pv->ncol + j].imag();
410416
if (std::abs(aa) < 1e-8)
@@ -491,7 +497,8 @@ void norm_psi_tensor_lapack(const Parallel_Orbitals* pv,
491497
{
492498
for (int j = 0; j < nlocal; j++)
493499
{
494-
double aa, bb;
500+
double aa = 0.0;
501+
double bb = 0.0;
495502
aa = Cij_print_cpu.data<std::complex<double>>()[i * nlocal + j].real();
496503
bb = Cij_print_cpu.data<std::complex<double>>()[i * nlocal + j].imag();
497504
if (std::abs(aa) < 1e-8)
@@ -597,7 +604,8 @@ void norm_psi_tensor_lapack(const Parallel_Orbitals* pv,
597604
{
598605
for (int j = 0; j < nlocal; j++)
599606
{
600-
double aa, bb;
607+
double aa = 0.0;
608+
double bb = 0.0;
601609
aa = psi_k_cpu.data<std::complex<double>>()[i * nlocal + j].real();
602610
bb = psi_k_cpu.data<std::complex<double>>()[i * nlocal + j].imag();
603611
if (std::abs(aa) < 1e-8)
@@ -618,7 +626,8 @@ void norm_psi_tensor_lapack(const Parallel_Orbitals* pv,
618626
{
619627
for (int j = 0; j < nlocal; j++)
620628
{
621-
double aa, bb;
629+
double aa = 0.0;
630+
double bb = 0.0;
622631
aa = tmp1_cpu.data<std::complex<double>>()[i * nlocal + j].real();
623632
bb = tmp1_cpu.data<std::complex<double>>()[i * nlocal + j].imag();
624633
if (std::abs(aa) < 1e-8)

‎source/module_hamilt_lcao/module_tddft/propagator.cpp‎

Lines changed: 8 additions & 4 deletions
Original file line numberDiff line numberDiff line change
@@ -297,7 +297,8 @@ void Propagator::compute_propagator_cn2(const int nlocal,
297297
{
298298
for (int j = 0; j < this->ParaV->ncol; j++)
299299
{
300-
double aa, bb;
300+
double aa = 0.0;
301+
double bb = 0.0;
301302
aa = U_operator[i * this->ParaV->ncol + j].real();
302303
bb = U_operator[i * this->ParaV->ncol + j].imag();
303304
if (std::abs(aa) < 1e-8)
@@ -551,7 +552,8 @@ void Propagator::compute_propagator_cn2_tensor(const int nlocal,
551552
{
552553
for (int j = 0; j < this->ParaV->ncol; j++)
553554
{
554-
double aa, bb;
555+
double aa = 0.0;
556+
double bb = 0.0;
555557
aa = U_operator.data<std::complex<double>>()[i * this->ParaV->ncol + j].real();
556558
bb = U_operator.data<std::complex<double>>()[i * this->ParaV->ncol + j].imag();
557559
if (std::abs(aa) < 1e-8)
@@ -840,7 +842,8 @@ void Propagator::compute_propagator_cn2_tensor_lapack(const int nlocal,
840842
{
841843
for (int j = 0; j < nlocal; j++)
842844
{
843-
double aa, bb;
845+
double aa = 0.0;
846+
double bb = 0.0;
844847
aa = U_operator_cpu.data<std::complex<double>>()[i * nlocal + j].real();
845848
bb = U_operator_cpu.data<std::complex<double>>()[i * nlocal + j].imag();
846849
if (std::abs(aa) < 1e-8)
@@ -1155,7 +1158,8 @@ void Propagator::compute_propagator_taylor(const int nlocal,
11551158
{
11561159
for (int j = 0; j < this->ParaV->ncol; j++)
11571160
{
1158-
double aa, bb;
1161+
double aa = 0.0;
1162+
double bb = 0.0;
11591163
aa = U_operator[i * this->ParaV->ncol + j].real();
11601164
bb = U_operator[i * this->ParaV->ncol + j].imag();
11611165
if (std::abs(aa) < 1e-8)

‎source/module_hamilt_lcao/module_tddft/upsi.cpp‎

Lines changed: 12 additions & 6 deletions
Original file line numberDiff line numberDiff line change
@@ -46,7 +46,8 @@ void upsi(const Parallel_Orbitals* pv,
4646
{
4747
for (int j = 0; j < pv->ncol; j++)
4848
{
49-
double aa, bb;
49+
double aa = 0.0;
50+
double bb = 0.0;
5051
aa = psi_k[i * pv->ncol + j].real();
5152
bb = psi_k[i * pv->ncol + j].imag();
5253
if (std::abs(aa) < 1e-8)
@@ -67,7 +68,8 @@ void upsi(const Parallel_Orbitals* pv,
6768
{
6869
for (int j = 0; j < pv->ncol; j++)
6970
{
70-
double aa, bb;
71+
double aa = 0.0;
72+
double bb = 0.0;
7173
aa = psi_k_laststep[i * pv->ncol + j].real();
7274
bb = psi_k_laststep[i * pv->ncol + j].imag();
7375
if (std::abs(aa) < 1e-8)
@@ -122,7 +124,8 @@ void upsi_tensor(const Parallel_Orbitals* pv,
122124
{
123125
for (int j = 0; j < pv->ncol; j++)
124126
{
125-
double aa, bb;
127+
double aa = 0.0;
128+
double bb = 0.0;
126129
aa = psi_k.data<std::complex<double>>()[i * pv->ncol + j].real();
127130
bb = psi_k.data<std::complex<double>>()[i * pv->ncol + j].imag();
128131
if (std::abs(aa) < 1e-8)
@@ -143,7 +146,8 @@ void upsi_tensor(const Parallel_Orbitals* pv,
143146
{
144147
for (int j = 0; j < pv->ncol; j++)
145148
{
146-
double aa, bb;
149+
double aa = 0.0;
150+
double bb = 0.0;
147151
aa = psi_k_laststep.data<std::complex<double>>()[i * pv->ncol + j].real();
148152
bb = psi_k_laststep.data<std::complex<double>>()[i * pv->ncol + j].imag();
149153
if (std::abs(aa) < 1e-8)
@@ -205,7 +209,8 @@ void upsi_tensor_lapack(const Parallel_Orbitals* pv,
205209
{
206210
for (int j = 0; j < nlocal; j++)
207211
{
208-
double aa, bb;
212+
double aa = 0.0;
213+
double bb = 0.0;
209214
aa = psi_k_cpu.data<std::complex<double>>()[i * nlocal + j].real();
210215
bb = psi_k_cpu.data<std::complex<double>>()[i * nlocal + j].imag();
211216
if (std::abs(aa) < 1e-8)
@@ -226,7 +231,8 @@ void upsi_tensor_lapack(const Parallel_Orbitals* pv,
226231
{
227232
for (int j = 0; j < nlocal; j++)
228233
{
229-
double aa, bb;
234+
double aa = 0.0;
235+
double bb = 0.0;
230236
aa = psi_k_laststep_cpu.data<std::complex<double>>()[i * nlocal + j].real();
231237
bb = psi_k_laststep_cpu.data<std::complex<double>>()[i * nlocal + j].imag();
232238
if (std::abs(aa) < 1e-8)

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