diff --git a/src/force/nep3_multigpu.cuh b/src/force/nep3_multigpu.cuh index 9895f00d7..8b81de6db 100644 --- a/src/force/nep3_multigpu.cuh +++ b/src/force/nep3_multigpu.cuh @@ -80,7 +80,7 @@ public: bool use_typewise_cutoff = false; bool use_typewise_cutoff_zbl = false; int num_gpus = 1; - int version = 2; // NEP version, 2 for NEP2 and 3 for NEP3 + int version = 4; // NEP version, 3 for NEP3 and 4 for NEP4 int model_type = 0; // 0=potential, 1=dipole, 2=polarizability, 3=temperature-dependent free energy float rc_radial = 0.0f; // radial cutoff