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Revert "change test hsolver_pw"
This reverts commit a815fdc.
1 parent f5b129b commit 2c243fc

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2 files changed

+7
-23
lines changed

2 files changed

+7
-23
lines changed

source/module_hsolver/hsolver_lcaopw.cpp

Lines changed: 4 additions & 4 deletions
Original file line numberDiff line numberDiff line change
@@ -64,7 +64,7 @@ void HSolverLIP<T>::paw_func_in_kloop(const int ik)
6464
this->wfc_basis->get_ig2iy(ik).data(),
6565
this->wfc_basis->get_ig2iz(ik).data(),
6666
(const double**)kpg,
67-
ucell.tpiba,
67+
GlobalC::ucell.tpiba,
6868
(const double**)gcar);
6969

7070
std::vector<double>().swap(kpt);
@@ -131,7 +131,7 @@ void HSolverLIP<T>::paw_func_after_kloop(psi::Psi<T>& psi, elecstate::ElecState*
131131
this->wfc_basis->get_ig2iy(ik).data(),
132132
this->wfc_basis->get_ig2iz(ik).data(),
133133
(const double**)kpg,
134-
ucell.tpiba,
134+
GlobalC::ucell.tpiba,
135135
(const double**)gcar);
136136

137137
std::vector<double>().swap(kpt);
@@ -164,7 +164,7 @@ void HSolverLIP<T>::paw_func_after_kloop(psi::Psi<T>& psi, elecstate::ElecState*
164164
{
165165
GlobalC::paw_cell.get_rhoijp(rhoijp, rhoijselect, nrhoijsel);
166166

167-
for (int iat = 0; iat < ucell.nat; iat++)
167+
for (int iat = 0; iat < GlobalC::ucell.nat; iat++)
168168
{
169169
GlobalC::paw_cell.set_rhoij(iat,
170170
nrhoijsel[iat],
@@ -176,7 +176,7 @@ void HSolverLIP<T>::paw_func_after_kloop(psi::Psi<T>& psi, elecstate::ElecState*
176176
#else
177177
GlobalC::paw_cell.get_rhoijp(rhoijp, rhoijselect, nrhoijsel);
178178

179-
for (int iat = 0; iat < ucell.nat; iat++)
179+
for (int iat = 0; iat < GlobalC::ucell.nat; iat++)
180180
{
181181
GlobalC::paw_cell.set_rhoij(iat,
182182
nrhoijsel[iat],

source/module_hsolver/test/test_hsolver_pw.cpp

Lines changed: 3 additions & 19 deletions
Original file line numberDiff line numberDiff line change
@@ -32,16 +32,9 @@
3232
* - 8. solve()
3333
* - lcao_in_pw specific implementation
3434
*/
35-
Magnetism::Magnetism(){};
36-
Magnetism::~Magnetism(){};
37-
InfoNonlocal::InfoNonlocal(){};
38-
InfoNonlocal::~InfoNonlocal(){};
39-
UnitCell::UnitCell(){};
40-
UnitCell::~UnitCell(){};
4135
class TestHSolverPW : public ::testing::Test {
4236
public:
4337
ModulePW::PW_Basis_K pwbk;
44-
UnitCell ucell;
4538
hsolver::HSolverPW<std::complex<float>, base_device::DEVICE_CPU> hs_f
4639
= hsolver::HSolverPW<std::complex<float>, base_device::DEVICE_CPU>(&pwbk,
4740
"scf",
@@ -256,12 +249,8 @@ TEST_F(TestHSolverPW, SolveLcaoInPW) {
256249
= hsolver::HSolverLIP<std::complex<float>>(&pwbk);
257250
hsolver::HSolverLIP<std::complex<double>> hs_d_lip
258251
= hsolver::HSolverLIP<std::complex<double>>(&pwbk);
259-
hs_f_lip.solve(&hamilt_test_f,
260-
psi_test_cf,
261-
&elecstate_test,
262-
ucell,
263-
transform_test_cf,
264-
true);
252+
hs_f_lip.solve(&hamilt_test_f, psi_test_cf, &elecstate_test,
253+
transform_test_cf, true);
265254
EXPECT_DOUBLE_EQ(hsolver::DiagoIterAssist<std::complex<float>>::avg_iter, 0.0);
266255
for (int i = 0; i < psi_test_cf.size(); i++)
267256
{
@@ -272,12 +261,7 @@ TEST_F(TestHSolverPW, SolveLcaoInPW) {
272261

273262
elecstate_test.ekb.c[0] = 1.0;
274263
elecstate_test.ekb.c[1] = 2.0;
275-
hs_d_lip.solve(&hamilt_test_d,
276-
psi_test_cd,
277-
&elecstate_test,
278-
ucell,
279-
transform_test_cd,
280-
true);
264+
hs_d_lip.solve(&hamilt_test_d, psi_test_cd, &elecstate_test, transform_test_cd, true);
281265
EXPECT_DOUBLE_EQ(hsolver::DiagoIterAssist<std::complex<double>>::avg_iter, 0.0);
282266
for (int i = 0; i < psi_test_cd.size(); i++)
283267
{

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