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Commit 875c5b0

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author
abacus_fixer
committed
remove some PARAM usage
1 parent 5b84c1a commit 875c5b0

1 file changed

Lines changed: 11 additions & 9 deletions

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source/source_esolver/lcao_others.cpp

Lines changed: 11 additions & 9 deletions
Original file line numberDiff line numberDiff line change
@@ -38,6 +38,8 @@ void ESolver_KS_LCAO<TK, TR>::others(BaseCell& basecell, const int istep)
3838
ModuleBase::timer::start("ESolver_KS_LCAO", "others");
3939

4040
const std::string cal_type = this->inp_->calculation;
41+
const std::string global_out_dir = PARAM.globalv.global_out_dir;
42+
const bool gamma_only_local = PARAM.globalv.gamma_only_local;
4143

4244
if (cal_type == "test_memory")
4345
{
@@ -78,7 +80,7 @@ void ESolver_KS_LCAO<TK, TR>::others(BaseCell& basecell, const int istep)
7880
this->inp_->out_level,
7981
orb_.get_rcutmax_Phi(),
8082
ucell.infoNL->get_rcutmax_Beta(),
81-
PARAM.globalv.gamma_only_local);
83+
gamma_only_local);
8284

8385
atom_arrange::search(PARAM.globalv.search_pbc,
8486
GlobalV::ofs_running,
@@ -108,7 +110,7 @@ void ESolver_KS_LCAO<TK, TR>::others(BaseCell& basecell, const int istep)
108110
// (2)For each atom, calculate the adjacent atoms in different cells
109111
// and allocate the space for H(R) and S(R).
110112
// If k point is used here, allocate HlocR after atom_arrange.
111-
this->RA.for_2d(ucell, this->gd, this->pv, PARAM.globalv.gamma_only_local, orb_.cutoffs());
113+
this->RA.for_2d(ucell, this->gd, this->pv, gamma_only_local, orb_.cutoffs());
112114

113115
// 2. density matrix extrapolation
114116

@@ -175,14 +177,14 @@ void ESolver_KS_LCAO<TK, TR>::others(BaseCell& basecell, const int istep)
175177

176178
// pelec should be initialized before these calculations
177179
elecstate::init_scf(ucell, this->Pgrid, this->sf.strucFac, this->locpp.numeric,
178-
istep, PARAM.globalv.global_out_dir, *this->inp_, this->pelec);
180+
istep, global_out_dir, *this->inp_, this->pelec);
179181

180182
// self consistent calculations for electronic ground state
181183
if (cal_type == "get_pchg")
182184
{
183185
std::cout << FmtCore::format("\n * * * * * *\n << Start %s.\n", "getting partial charge");
184186
Get_pchg_lcao get_pchg(this->psi, &(this->pv));
185-
if (PARAM.globalv.gamma_only_local)
187+
if (gamma_only_local)
186188
{
187189
get_pchg.begin(this->chr.rho,
188190
this->pelec->wg,
@@ -196,7 +198,7 @@ void ESolver_KS_LCAO<TK, TR>::others(BaseCell& basecell, const int istep)
196198
this->Pgrid,
197199
&this->gd,
198200
this->kv,
199-
PARAM.globalv.global_out_dir,
201+
global_out_dir,
200202
GlobalV::ofs_running);
201203
}
202204
else
@@ -215,7 +217,7 @@ void ESolver_KS_LCAO<TK, TR>::others(BaseCell& basecell, const int istep)
215217
this->Pgrid,
216218
&this->gd,
217219
this->kv,
218-
PARAM.globalv.global_out_dir,
220+
global_out_dir,
219221
GlobalV::ofs_running,
220222
this->inp_->if_separate_k,
221223
this->chr.ngmc);
@@ -226,7 +228,7 @@ void ESolver_KS_LCAO<TK, TR>::others(BaseCell& basecell, const int istep)
226228
{
227229
std::cout << FmtCore::format("\n * * * * * *\n << Start %s.\n", "getting wave function");
228230
Get_wf_lcao get_wf(this->pelec);
229-
if (PARAM.globalv.gamma_only_local)
231+
if (gamma_only_local)
230232
{
231233
get_wf.begin(ucell,
232234
this->psi,
@@ -241,7 +243,7 @@ void ESolver_KS_LCAO<TK, TR>::others(BaseCell& basecell, const int istep)
241243
this->inp_->nbands,
242244
this->inp_->nspin,
243245
PARAM.globalv.nlocal,
244-
PARAM.globalv.global_out_dir,
246+
global_out_dir,
245247
GlobalV::ofs_running);
246248
}
247249
else
@@ -259,7 +261,7 @@ void ESolver_KS_LCAO<TK, TR>::others(BaseCell& basecell, const int istep)
259261
this->inp_->nbands,
260262
this->inp_->nspin,
261263
PARAM.globalv.nlocal,
262-
PARAM.globalv.global_out_dir,
264+
global_out_dir,
263265
GlobalV::ofs_running);
264266
}
265267
std::cout << FmtCore::format(" >> Finish %s.\n * * * * * *\n", "getting wave function");

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