diff --git a/src/templates_front/templator_front.org b/src/templates_front/templator_front.org index 4c56de9..4c51247 100644 --- a/src/templates_front/templator_front.org +++ b/src/templates_front/templator_front.org @@ -2872,9 +2872,9 @@ def read_$group_dset$(trexio_file: File, offset_file: int, buffer_size: int) -> The number of integrals to read from the file. Returns: - (indices, values, read_buf_size, eof_flag) tuple where + (indices, values, n_int_read, eof_flag) tuple where - indices and values are NumPy arrays [numpy.ndarray] with the default int32 and float64 precision, respectively; - - read_buf_size [int] is the number of integrals read from the trexio_file + - n_int_read [int] is the number of integrals read from the trexio_file (either strictly equal to buffer_size or less than buffer_size if EOF has been reached); - eof_flag [bool] is True when EOF has been reached (i.e. when call to low-level pytrexio API returns TREXIO_END) False otherwise. @@ -2911,14 +2911,14 @@ def read_$group_dset$(trexio_file: File, offset_file: int, buffer_size: int) -> # main call to the low-level (SWIG-wrapped) trexio_read function, which also requires the sizes of the output to be provided # as the last 2 arguments (for numpy arrays of indices and values, respectively) # read_buf_size contains the number of elements being read from the file, useful when EOF has been reached - rc, read_buf_size, indices, values = pytr.trexio_read_safe_$group_dset$(trexio_file.pytrexio_s, - offset_file, - verified_size, - verified_size * $group_dset_rank$, - verified_size) + rc, n_int_read, indices, values = pytr.trexio_read_safe_$group_dset$(trexio_file.pytrexio_s, + offset_file, + verified_size, + verified_size * $group_dset_rank$, + verified_size) if rc != TREXIO_SUCCESS: raise Error(rc) - if read_buf_size == 0: + if n_int_read == 0: raise ValueError("No integrals have been read from the file.") if indices is None or values is None: raise ValueError("Returned NULL array from the low-level pytrexio API.") @@ -2927,7 +2927,7 @@ def read_$group_dset$(trexio_file: File, offset_file: int, buffer_size: int) -> shape = tuple([verified_size, $group_dset_rank$]) indices_reshaped = np.reshape(indices, shape, order='C') - return (indices_reshaped, values, read_buf_size, eof_flag) + return (indices_reshaped, values, n_int_read, eof_flag) def read_$group_dset$_size(trexio_file) -> int: