deepmd.entrypoints.test
Test trained DeePMD model. Test model predictions. Test model predictions. path where model is stored system directory the path to the list of systems to test munber of tests to do. 0 means all data. seed for random generator whether to shuffle tests file where test details will be output whether per atom quantities should be computed (Supported backend: PyTorch) Task head to test if in multi-task mode. additional arguments if no valid system was foundModule Contents
Functions
test
(*, model, system, datafile, numb_test, rand_seed, ...)str
str
str
int
Optional
[int
]Optional
[str
]Optional
[str
], optional
RuntimeError