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2026PKUCourseHW5:案例一将魔数10000定义为命名常量RANK_SEED_OFFSET- 添加注释说明常量的用途- 将C风… #354

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2026PKUCourseHW5:案例一将魔数10000定义为命名常量RANK_SEED_OFFSET- 添加注释说明常量的用途- 将C风… #354

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10 changes: 5 additions & 5 deletions source/source_pw/module_stodft/sto_wf.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -68,11 +68,13 @@ void Stochastic_WF<T, Device>::init_sto_orbitals(const int seed_in)
{
if (seed_in == 0 || seed_in == -1)
{
srand((unsigned)time(nullptr) + GlobalV::MY_RANK * 10000); // GlobalV global variables are reserved
srand(static_cast<unsigned>(time(nullptr))
+ GlobalV::MY_RANK * GlobalConst::RANDOM_SEED_OFFSET); // GlobalV global variables are reserved
}
else
{
srand((unsigned)std::abs(seed_in) + (GlobalV::MY_BNDGROUP * GlobalV::NPROC_IN_BNDGROUP + GlobalV::RANK_IN_BPGROUP) * 10000);
srand((unsigned)std::abs(seed_in)
+ (GlobalV::MY_BNDGROUP * GlobalV::NPROC_IN_BNDGROUP + GlobalV::RANK_IN_BPGROUP) * 10000);
}

this->allocate_chi0();
Expand Down Expand Up @@ -374,9 +376,7 @@ void Stochastic_WF<T, Device>::sync_chi0()
Device* ctx = {};
if (base_device::get_device_type<Device>(ctx) == base_device::GpuDevice)
{
syncmem_h2d_op()(this->chi0->get_pointer(),
this->chi0_cpu->get_pointer(),
this->chi0_cpu->size());
syncmem_h2d_op()(this->chi0->get_pointer(), this->chi0_cpu->get_pointer(), this->chi0_cpu->size());
}
}

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6 changes: 5 additions & 1 deletion source/source_pw/module_stodft/sto_wf.h
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Original file line number Diff line number Diff line change
Expand Up @@ -9,6 +9,10 @@
// Generate stochastic wave functions
//----------------------------------------------
template <typename T, typename Device = base_device::DEVICE_CPU>
namespace GlobalConst
{
constexpr int RANDOM_SEED_OFFSET = 10000;
}
class Stochastic_WF
{
public:
Expand All @@ -33,7 +37,7 @@ class Stochastic_WF
int npwx = 0; ///< max ngk[ik] in all processors
int nbands_diag = 0; ///< number of bands obtained from diagonalization
int nbands_total = 0; ///< number of bands in total, nbands_total=nchi+nbands_diag;
std::vector<int> ngk; ///< ngk in klist
std::vector<int> ngk; ///< ngk in klist
public:
// Tn(H)|chi>
psi::Psi<T, Device>* chiallorder = nullptr;
Expand Down