<html><head></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Hi Jan,<br><div><br class="Apple-interchange-newline"><blockquote type="cite"><span class="Apple-style-span" style="border-collapse: separate; font-family: 'Lucida Sans'; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; font-size: medium; ">As you can see the index (0, 1, 2) is added with zero amplitude where instead<span class="Apple-converted-space"> </span><br>the index (1, 0, 2) should be renamed to (0, 1, 2) as those two are<span class="Apple-converted-space"> </span><br>symmetrically equivalent for any tetragonal spacegroup (like P4). So to me it<span class="Apple-converted-space"> </span><br>looks like the complete_array method does not honor symmetrically equivalent<span class="Apple-converted-space"> </span><br>indices at all, where it should imho. What do you think on this issue?<br></span></blockquote></div><br><div>Considering the current implementation of method complete_array, it seems to me that the problem lies in method complete_set of class miller.set, that replaces (1, 0, 2) with (0, 1, 2) in your example for no particularly good reason I can see. The implementation of complete_array clearly assumes that complete_set should not do that. But then, the way complete_set is implemented, such surprises are bound to happen. A more involved algorithm is necessary there.</div><div><br></div><div>I put that on the todo list.</div><div><br></div><div>Best wishes,</div><div><br></div><div>Luc Bourhis</div><div><br></div></body></html>