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Commit d74a627

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fix compile without mpi
1 parent 0b44763 commit d74a627

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3 files changed

+13
-27
lines changed

3 files changed

+13
-27
lines changed

source/module_esolver/esolver_ks_pw.cpp

Lines changed: 6 additions & 9 deletions
Original file line numberDiff line numberDiff line change
@@ -269,15 +269,12 @@ void ESolver_KS_PW<T, Device>::before_scf(UnitCell& ucell, const int istep)
269269
if (ucell.ionic_position_updated)
270270
{
271271
this->CE.update_all_dis(ucell);
272-
this->CE.extrapolate_charge(
273-
#ifdef __MPI
274-
&this->Pgrid,
275-
#endif
276-
ucell,
277-
this->pelec->charge,
278-
&this->sf,
279-
GlobalV::ofs_running,
280-
GlobalV::ofs_warning);
272+
this->CE.extrapolate_charge(&this->Pgrid,
273+
ucell,
274+
this->pelec->charge,
275+
&this->sf,
276+
GlobalV::ofs_running,
277+
GlobalV::ofs_warning);
281278
}
282279

283280
// init Hamilt, this should be allocated before each scf loop

source/module_esolver/esolver_of.cpp

Lines changed: 1 addition & 9 deletions
Original file line numberDiff line numberDiff line change
@@ -247,15 +247,7 @@ void ESolver_OF::before_opt(const int istep, UnitCell& ucell)
247247
if (ucell.ionic_position_updated)
248248
{
249249
CE.update_all_dis(ucell);
250-
CE.extrapolate_charge(
251-
#ifdef __MPI
252-
&(Pgrid),
253-
#endif
254-
ucell,
255-
pelec->charge,
256-
&(sf),
257-
GlobalV::ofs_running,
258-
GlobalV::ofs_warning);
250+
CE.extrapolate_charge(&Pgrid, ucell, pelec->charge, &sf, GlobalV::ofs_running, GlobalV::ofs_warning);
259251
}
260252

261253
this->pelec->init_scf(istep, ucell, Pgrid, sf.strucFac, locpp.numeric, ucell.symm);

source/module_esolver/lcao_before_scf.cpp

Lines changed: 6 additions & 9 deletions
Original file line numberDiff line numberDiff line change
@@ -51,15 +51,12 @@ void ESolver_KS_LCAO<TK, TR>::before_scf(UnitCell& ucell, const int istep)
5151
if (ucell.ionic_position_updated)
5252
{
5353
this->CE.update_all_dis(ucell);
54-
this->CE.extrapolate_charge(
55-
#ifdef __MPI
56-
&(this->Pgrid),
57-
#endif
58-
ucell,
59-
this->pelec->charge,
60-
&(this->sf),
61-
GlobalV::ofs_running,
62-
GlobalV::ofs_warning);
54+
this->CE.extrapolate_charge(&(this->Pgrid),
55+
ucell,
56+
this->pelec->charge,
57+
&(this->sf),
58+
GlobalV::ofs_running,
59+
GlobalV::ofs_warning);
6360
}
6461

6562
//----------------------------------------------------------

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