Skip to content

2026PKUCourseHW5：example 7 and example 8 in homework #361

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Open
frostmoss wants to merge 2 commits into
base: develop
Choose a base branch
from
+8 −6
Open

2026PKUCourseHW5：example 7 and example 8 in homework #361

Show file tree
Hide file tree
Changes from all commits
Commits
Show all changes
2 commits
Select commit Hold shift + click to select a range
74d9d28
Refactor: replace fixed-size char array with std::string to prevent b…
Mar 28, 2026
042649e
change the random number
Mar 28, 2026
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
4 changes: 2 additions & 2 deletions source/source_pw/module_ofdft/ml_tools/input.cpp
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
#include "./input.h"

#include <string>
void Input::readInput()
{
std::ifstream ifs("nnINPUT", std::ios::in);
Expand All @@ -9,7 +9,7 @@ void Input::readInput()
exit(0);
}

char word[80];
std::string word;
int ierr = 0;

ifs.rdstate();
Expand Down
10 changes: 6 additions & 4 deletions source/source_pw/module_stodft/sto_wf.cpp
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
#include "sto_wf.h"

#include <random>
#include "source_base/memory.h"
#include "source_io/module_parameter/parameter.h"

Expand Down Expand Up @@ -136,19 +136,21 @@ void Stochastic_WF<T, Device>::update_sto_orbitals(const int seed_in)
{
const int nchi = PARAM.inp.nbands_sto;
this->chi0_cpu->fix_k(0);
static std::mt19937 gen(std::random_device{}());
std::uniform_real_distribution<double> dist(0.0, 1.0);
if (seed_in >= 0)
{
for (int i = 0; i < this->chi0_cpu->size(); ++i)
{
const double phi = 2 * ModuleBase::PI * rand() / double(RAND_MAX);
{
const double phi = 2 * ModuleBase::PI * dist(gen);
this->chi0_cpu->get_pointer()[i] = std::complex<double>(cos(phi), sin(phi)) / sqrt(double(nchi));
}
}
else
{
for (int i = 0; i < this->chi0_cpu->size(); ++i)
{
if (rand() / double(RAND_MAX) < 0.5)
if (dist(gen) < 0.5)
{
this->chi0_cpu->get_pointer()[i] = -1.0 / sqrt(double(nchi));
}
Expand Down