Commit 0b559420 authored by Erik Fransson's avatar Erik Fransson

starting some cleanup

parent a5722d4c
.. index:: Limitations
Known limitations
*****************
* Sometimes problems can occur due to known FFT features such as
folding and aliasing.
.. todo::
Erik, please check this out and rewrite.
* I am not sure how `filon` integration works and deals with these
problem but be aware that :program:`dynasor` does not obey Nyquist
criterion and you should probably only look at frequencies lower
than :math:`\frac{\omega_{max}}{2}`.
* One should take the absolute value of the frequency functions since
FFT amplitudes can sometimes become negative.
* Only constant volume trajectories are supported.
Limitations
************
Sometimes problems can occur due to known FFT features such as
folding and aliasing. We've found the `filon` integration to work well for most
applications but sometimes it might be necessary to apply FFT windows to get a
better signal in the frequency domain.
The concept of k-points becomes muddy once if the volume of the box is changing.
Differences in positions between two frames with different boxes is also hard
to define. Therefore only constant volume MD trajectories are supported in
dynasor.
\ No newline at end of file
......@@ -39,6 +39,7 @@
year = {2005}
}
%---Articles---
......@@ -104,8 +105,6 @@
}
%---Websites---
......@@ -115,7 +114,3 @@
year = {2015},
howpublished = {\url{http://lammps.sandia.gov/}}
}
%läst 2015
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