<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:courier,monaco,monospace,sans-serif;font-size:12pt"><div style="font-family: courier,monaco,monospace,sans-serif; font-size: 12pt;">Hi Phillip,<br><br>sorry, that was an oversight. Replace<br><br>- real_map = fft_map.real_map()<br>+ real_map = fft_map.real_map_unpadded()<br><br>and it should print identical values.<br><br><div style="font-size: 12pt;"><div>> Is there any reason for the different sizes of the tag_array and the <br>> real_map? real_map.last() and tag_array.last() show different results.<br><br>That was exactly the problem. The real_map is padded because of FFT requirements. The tag_array is not.<br><br>.real_map_unpadded() will make a copy. There will be another copy to restore the padding in .structure_factors_from_map() call. The two copies can be avoided in C++, but it is to cumbersome from
Python.<br><br>Ralf<br><br></div></div></div></div><br>
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