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[pre-commit.ci] pre-commit autoupdate #4948

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Merged
njzjz merged 2 commits into from
Sep 2, 2025
Merged

[pre-commit.ci] pre-commit autoupdate #4948

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c75f7bd
[pre-commit.ci] pre-commit autoupdate
pre-commit-ci[bot] Sep 1, 2025
8439b64
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Sep 1, 2025
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4 changes: 2 additions & 2 deletions .pre-commit-config.yaml
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Original file line number Diff line number Diff line change
Expand Up @@ -29,7 +29,7 @@ repos:
exclude: ^source/3rdparty
- repo: https://github.com/astral-sh/ruff-pre-commit
# Ruff version.
rev: v0.12.10
rev: v0.12.11
hooks:
- id: ruff
args: ["--fix"]
Expand Down Expand Up @@ -60,7 +60,7 @@ repos:
- id: blacken-docs
# C++
- repo: https://github.com/pre-commit/mirrors-clang-format
rev: v20.1.8
rev: v21.1.0
hooks:
- id: clang-format
exclude: ^(source/3rdparty|source/lib/src/gpu/cudart/.+\.inc|.+\.ipynb$|.+\.json$)
Expand Down
2,126 changes: 1,063 additions & 1,063 deletions source/api_c/include/deepmd.hpp
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2 changes: 1 addition & 1 deletion source/api_c/tests/test_deepmd_exception.cc
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Expand Up @@ -16,7 +16,7 @@ TEST(TestDeepmdException, deepmdexception) {
std::string expected_error_message = "DeePMD-kit C API Error: unittest";
try {
throw deepmd::hpp::deepmd_exception("unittest");
} catch (deepmd::hpp::deepmd_exception &ex) {
} catch (deepmd::hpp::deepmd_exception& ex) {
EXPECT_STREQ(expected_error_message.c_str(), ex.what());
}
}
Expand Down
42 changes: 21 additions & 21 deletions source/api_c/tests/test_utils.h
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Expand Up @@ -14,7 +14,7 @@ typedef testing::Types<double, float> ValueTypes;
template <typename VALUETYPE>
inline void _fold_back(typename std::vector<VALUETYPE>::iterator out,
const typename std::vector<VALUETYPE>::const_iterator in,
const std::vector<int> &mapping,
const std::vector<int>& mapping,
const int nloc,
const int nall,
const int ndim,
Expand All @@ -35,9 +35,9 @@ inline void _fold_back(typename std::vector<VALUETYPE>::iterator out,
}

template <typename VALUETYPE>
inline void _fold_back(std::vector<VALUETYPE> &out,
const std::vector<VALUETYPE> &in,
const std::vector<int> &mapping,
inline void _fold_back(std::vector<VALUETYPE>& out,
const std::vector<VALUETYPE>& in,
const std::vector<int>& mapping,
const int nloc,
const int nall,
const int ndim,
Expand All @@ -48,14 +48,14 @@ inline void _fold_back(std::vector<VALUETYPE> &out,
}

template <typename VALUETYPE>
inline void _build_nlist(std::vector<std::vector<int>> &nlist_data,
std::vector<VALUETYPE> &coord_cpy,
std::vector<int> &atype_cpy,
std::vector<int> &mapping,
const std::vector<VALUETYPE> &coord,
const std::vector<int> &atype,
const std::vector<VALUETYPE> &box,
const float &rc) {
inline void _build_nlist(std::vector<std::vector<int>>& nlist_data,
std::vector<VALUETYPE>& coord_cpy,
std::vector<int>& atype_cpy,
std::vector<int>& mapping,
const std::vector<VALUETYPE>& coord,
const std::vector<int>& atype,
const std::vector<VALUETYPE>& box,
const float& rc) {
// convert VALUETYPE to double, it looks like copy_coord only accepts double
std::vector<double> coord_cpy_;
std::vector<double> coord_(coord.begin(), coord.end());
Expand Down Expand Up @@ -90,13 +90,13 @@ class EnergyModelTest {
double level =
std::is_same<VALUETYPE, double>::value ? 1e-6 : 1e-2; // expected?
public:
virtual void compute(double &ener,
std::vector<VALUETYPE> &force,
std::vector<VALUETYPE> &virial,
const std::vector<VALUETYPE> &coord,
const std::vector<VALUETYPE> &box) = 0;
void test_f(const std::vector<VALUETYPE> &coord,
const std::vector<VALUETYPE> &box) {
virtual void compute(double& ener,
std::vector<VALUETYPE>& force,
std::vector<VALUETYPE>& virial,
const std::vector<VALUETYPE>& coord,
const std::vector<VALUETYPE>& box) = 0;
void test_f(const std::vector<VALUETYPE>& coord,
const std::vector<VALUETYPE>& box) {
int ndof = coord.size();
double ener;
std::vector<VALUETYPE> force, virial;
Expand All @@ -114,8 +114,8 @@ class EnergyModelTest {
EXPECT_LT(fabs(num - ana), level);
}
}
void test_v(const std::vector<VALUETYPE> &coord,
const std::vector<VALUETYPE> &box) {
void test_v(const std::vector<VALUETYPE>& coord,
const std::vector<VALUETYPE>& box) {
std::vector<VALUETYPE> num_diff(9);
double ener;
std::vector<VALUETYPE> force, virial;
Expand Down
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