struct rgpot::UmaPot::ImplΒΆ
struct Impl {
// fields
torch::Device device {torch::kCPU};
torch::ScalarType dtype {torch::kFloat32};
double cutoff {6.0};
double molecular_box {0.0};
int max_neighbors {300};
int64_t batch_max {0};
std::unique_ptr<torch::inductor::AOTIModelPackageLoader> loader;
std::mutex mutex;
};