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Fix: compiler error with USE_CUDA
1 parent c6ae012 commit 3b6b940

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2 files changed

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-116
lines changed

2 files changed

+0
-116
lines changed

source/src_pw/electrons.cu

Lines changed: 0 additions & 60 deletions
Original file line numberDiff line numberDiff line change
@@ -56,66 +56,6 @@ Electrons::~Electrons()
5656
{
5757
}
5858

59-
void Electrons::non_self_consistent(const int &istep)
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{
61-
ModuleBase::TITLE("Electrons","non_self_consistent");
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ModuleBase::timer::tick("Electrons","non_self_consistent");
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//========================================
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// diagonalization of the KS hamiltonian
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// =======================================
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Electrons::c_bands(istep);
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GlobalV::ofs_running << "\n End of Band Structure Calculation \n" << std::endl;
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for (int ik = 0; ik < GlobalC::kv.nks; ik++)
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{
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if (GlobalV::NSPIN==2)
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{
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if (ik == 0) GlobalV::ofs_running << " spin up :" << std::endl;
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if (ik == ( GlobalC::kv.nks / 2)) GlobalV::ofs_running << " spin down :" << std::endl;
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}
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//out.printV3(GlobalV::ofs_running, GlobalC::kv.kvec_c[ik]);
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GlobalV::ofs_running << " k-points" << ik+1
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<< "(" << GlobalC::kv.nkstot << "): "
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<< GlobalC::kv.kvec_c[ik].x
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<< " " << GlobalC::kv.kvec_c[ik].y
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<< " " << GlobalC::kv.kvec_c[ik].z << std::endl;
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for (int ib = 0; ib < GlobalV::NBANDS; ib++)
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{
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GlobalV::ofs_running << " spin" << GlobalC::kv.isk[ik]+1
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<< "_final_band " << ib+1
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<< " " << GlobalC::wf.ekb[ik][ib] * ModuleBase::Ry_to_eV
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<< " " << GlobalC::wf.wg(ik, ib)*GlobalC::kv.nks << std::endl;
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}
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GlobalV::ofs_running << std::endl;
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}
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// add by jingan in 2018.11.7
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if(GlobalV::CALCULATION == "nscf" && INPUT.towannier90)
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{
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toWannier90 myWannier(GlobalC::kv.nkstot,GlobalC::ucell.G);
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myWannier.init_wannier();
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}
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//=======================================================
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// Do a Berry phase polarization calculation if required
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//=======================================================
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if (berryphase::berry_phase_flag && ModuleSymmetry::Symmetry::symm_flag == 0)
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{
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berryphase bp;
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bp.Macroscopic_polarization();
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}
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ModuleBase::timer::tick("Electrons","non_self_consistent");
116-
return;
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}
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11959

12060
#include "occupy.h"
12161
void Electrons::self_consistent(const int &istep)

source/src_pw/electrons_hip.cpp

Lines changed: 0 additions & 56 deletions
Original file line numberDiff line numberDiff line change
@@ -57,62 +57,6 @@ Electrons::~Electrons()
5757
{
5858
}
5959

60-
void Electrons::non_self_consistent(const int &istep)
61-
{
62-
ModuleBase::TITLE("Electrons", "non_self_consistent");
63-
ModuleBase::timer::tick("Electrons", "non_self_consistent");
64-
65-
//========================================
66-
// diagonalization of the KS hamiltonian
67-
// =======================================
68-
Electrons::c_bands(istep);
69-
70-
GlobalV::ofs_running << "\n End of Band Structure Calculation \n" << std::endl;
71-
72-
for (int ik = 0; ik < GlobalC::kv.nks; ik++)
73-
{
74-
if (GlobalV::NSPIN == 2)
75-
{
76-
if (ik == 0)
77-
GlobalV::ofs_running << " spin up :" << std::endl;
78-
if (ik == (GlobalC::kv.nks / 2))
79-
GlobalV::ofs_running << " spin down :" << std::endl;
80-
}
81-
// out.printV3(GlobalV::ofs_running, GlobalC::kv.kvec_c[ik]);
82-
83-
GlobalV::ofs_running << " k-points" << ik + 1 << "(" << GlobalC::kv.nkstot << "): " << GlobalC::kv.kvec_c[ik].x
84-
<< " " << GlobalC::kv.kvec_c[ik].y << " " << GlobalC::kv.kvec_c[ik].z << std::endl;
85-
86-
for (int ib = 0; ib < GlobalV::NBANDS; ib++)
87-
{
88-
GlobalV::ofs_running << " spin" << GlobalC::kv.isk[ik] + 1 << "_final_band " << ib + 1 << " "
89-
<< GlobalC::wf.ekb[ik][ib] * ModuleBase::Ry_to_eV << " "
90-
<< GlobalC::wf.wg(ik, ib) * GlobalC::kv.nks << std::endl;
91-
}
92-
GlobalV::ofs_running << std::endl;
93-
}
94-
95-
// add by jingan in 2018.11.7
96-
if (GlobalV::CALCULATION == "nscf" && INPUT.towannier90)
97-
{
98-
toWannier90 myWannier(GlobalC::kv.nkstot, GlobalC::ucell.G);
99-
myWannier.init_wannier();
100-
}
101-
102-
//=======================================================
103-
// Do a Berry phase polarization calculation if required
104-
//=======================================================
105-
106-
if (berryphase::berry_phase_flag && ModuleSymmetry::Symmetry::symm_flag == 0)
107-
{
108-
berryphase bp;
109-
bp.Macroscopic_polarization();
110-
}
111-
112-
ModuleBase::timer::tick("Electrons", "non_self_consistent");
113-
return;
114-
}
115-
11660
#include "occupy.h"
11761
void Electrons::self_consistent(const int &istep)
11862
{

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