I install dpdata 0.2.1 via conda.
When I tryed read the nobc example data via dpdata an error is rise.
Here belew the command I gave:
x = dpdata.LabeledSystem("mypath/deepmd-kit/examples/nopbc/data/C1H4O2", fmt='deepmd/npy')
Here the error:
FileNotFoundError: [Errno 2] No such file or directory: '/mypath/deepmd-kit/examples/nopbc/data/C1H4O2/set.000/box.npy'
Here what is written In the doc. "If one needs to train a non-periodic system, an empty nopbc file should be put under the system directory. box.raw is not necessary is a non-periodic system."
Infact in the example directory no box.raw or virial is present.
I install dpdata 0.2.1 via conda.
When I tryed read the
nobcexample data via dpdata an error is rise.Here belew the command I gave:
x = dpdata.LabeledSystem("mypath/deepmd-kit/examples/nopbc/data/C1H4O2", fmt='deepmd/npy')Here the error:
FileNotFoundError: [Errno 2] No such file or directory: '/mypath/deepmd-kit/examples/nopbc/data/C1H4O2/set.000/box.npy'Here what is written In the doc. "If one needs to train a non-periodic system, an empty
nopbcfile should be put under the system directory.box.rawis not necessary is a non-periodic system."Infact in the example directory no box.raw or virial is present.