| commit | 16142e23500b57c3abe11bd3425cd13ff32c5fca | |
| author | Berk Hess <hess@kth.se> | |
| Wed, 16 Mar 2016 09:04:31 +0000 (16 10:04 +0100) | ||
| committer | Mark Abraham <mark.j.abraham@gmail.com> | |
| Fri, 18 Mar 2016 16:59:54 +0000 (18 17:59 +0100) | ||
| tree | 64377b1dd3532cd7b8d24006624bb1d9ccf11f03 | treesnapshot (tar.gz zip) |
| parent | 83f456ad18d173ba9478a1dd8bcdd61d0fa70f8e | commitdiff |
Fix non-normalization of FFT autocorr
The function many_auto_correl incorrectly divided by the number of
data points, leading to incorrect absolute values of autocorrelation
functions, as e.g. out by gmx analyze -ac -nonormalize.
Also simplified the FFT size calculation.
Added a test for -nonormalize functionality.
Fixes #1914.
Change-Id: If0961c91d6e0a78f88e4390ce55b2a56143dd5e5
The function many_auto_correl incorrectly divided by the number of
data points, leading to incorrect absolute values of autocorrelation
functions, as e.g. out by gmx analyze -ac -nonormalize.
Also simplified the FFT size calculation.
Added a test for -nonormalize functionality.
Fixes #1914.
Change-Id: If0961c91d6e0a78f88e4390ce55b2a56143dd5e5
13 files changed: