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Commit 0a171ca

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fix compute bug
1 parent 9c1bcff commit 0a171ca

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  • source/module_hamilt_pw/hamilt_pwdft/operator_pw

1 file changed

+5
-5
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source/module_hamilt_pw/hamilt_pwdft/operator_pw/veff_pw.cpp

Lines changed: 5 additions & 5 deletions
Original file line numberDiff line numberDiff line change
@@ -56,7 +56,7 @@ void Veff<OperatorPW<T, Device>>::act(
5656
const int current_spin = this->isk[this->ik];
5757
const int psi_offset= max_npw * npol;
5858
#ifdef __DSP
59-
if (npol == 1 && this->veff_col !=0)
59+
if (npol == 1)
6060
{
6161
ModulePW::FFT_Guard guard(wfcpw->fft_bundle);
6262
for (int ib = 0; ib < nbands; ib += npol)
@@ -71,7 +71,7 @@ void Veff<OperatorPW<T, Device>>::act(
7171
tmhpsi += psi_offset;
7272
tmpsi_in += psi_offset;
7373
}
74-
}else if (npol == 2 && this->veff_col !=0)
74+
}else if (npol == 2)
7575
{
7676
const Real* current_veff[4];
7777
for (int is = 0; is < 4; is++)
@@ -93,7 +93,7 @@ void Veff<OperatorPW<T, Device>>::act(
9393
ModuleBase::WARNING_QUIT("VeffPW", "npol should be 1 or 2 or veff_col equal to 0\n");
9494
}
9595
#else
96-
if (npol == 1 && this->veff_col !=0)
96+
if (npol == 1)
9797
{
9898
for (int ib = 0; ib < nbands; ib += npol)
9999
{
@@ -103,11 +103,11 @@ void Veff<OperatorPW<T, Device>>::act(
103103
// but the 3DFFT can not be skipped, it will cause hanging
104104
veff_op()(this->ctx, this->veff_col, this->porter, this->veff + current_spin * this->veff_col);
105105
wfcpw->real_to_recip<T, Device>(this->porter, tmhpsi, this->ik, true);
106-
tmhpsi += psi_offset;
106+
tmhpsi += psi_offset;
107107
tmpsi_in += psi_offset;
108108
}
109109
}
110-
else if (npol == 2 && this->veff_col !=0)
110+
else if (npol == 2)
111111
{
112112
const Real* current_veff[4];
113113
for (int is = 0; is < 4; is++)

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