Open ChiCheng45 opened 1 month ago
Description of the error Running the unfolded trajectory with the DL_POLY water trajectory does not make the trajectory contiguous. Additionally when atom selection is used the job fails with a broadcast error.
raise TypeError("Can't broadcast %s -> %s" % (source_shape, self.array_shape)) # array shape ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ TypeError: Can't broadcast (766,) -> (768,)
Description of the error Running the unfolded trajectory with the DL_POLY water trajectory does not make the trajectory contiguous. Additionally when atom selection is used the job fails with a broadcast error.