Input filesΒΆ
To run a NEP construction using the nep executable, one has to prepare three input files that respectively specificy the parameters of the NEP model (nep.in), the training dataset (train.xyz), and the test dataset (test.xyz).
To run a NEP construction using the nep executable, one has to prepare three input files that respectively specificy the parameters of the NEP model (nep.in), the training dataset (train.xyz), and the test dataset (test.xyz).