NEP.zip
NEP
README.md
225 Bytes
test
energy_test.out
54.4 kB
energy_train.out
218.5 kB
force_test.out
26.2 MB
force_train.out
105.2 MB
nep.in
300 Bytes
stress_test.out
249.6 kB
stress_train.out
998.7 kB
virial_test.out
324.2 kB
virial_train.out
1.3 MB
test.xyz
49.7 MB
train
nep.in
284 Bytes
nep.txt
133.9 kB
train.xyz
199.7 MB