write

Zmat.write(outputfile, implicit_index=True)

Writes the zmatrix into a file.

Note

Since it permamently writes a file, this function is strictly speaking not sideeffect free. The frame to be written is of course not changed.

Parameters:

• outputfile (str) –
• implicit_index (bool) – If implicit_index is set, the zmat indexing is changed to range(1, number_atoms+1). Besides the index is omitted while writing which means, that the index is given implicitly by the row number.

Returns:

None

Return type:

None