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Interface
version
prediction
model_type
type
type_weight
zbl
use_typewise_cutoff_zbl
cutoff
use_typewise_cutoff
n_max
basis_size
l_max
neuron
lambda_1
lambda_2
lambda_e
lambda_f
lambda_v
lambda_shear
force_delta
batch
population
generation
output_descriptor
Backmatter
This keyword selects which NEP version should be used. The syntax is:
version <version_number>
Here, <version_number> must be an integer, which can be 3 or 4, corresponding to NEP3 and NEP4, respectively. The default is 4.
<version_number>
More information about the NEP formalism can be found here.