svn+ssh://bugman@.../svn/relax/1.3
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r16451 | bugman | 2012-05-25 09:23:58 +0200 (Fri, 25 May 2012) | 9 lines
Made the bond vector extraction print out from structure.vectors more informative.
This is in response to James Nyirenda's <jamesn7414 att yahoo dott com> post at
https://mail.gna.org/public/relax-users/2012-05/msg00023.html (Message-id:
<1337916876.99384.YahooMailNeo@...>).
The number of vectors extracted is now being printed out.
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r16452 | bugman | 2012-05-25 09:32:17 +0200 (Fri, 25 May 2012) | 3 lines
A small change for the structure.vectors print out.
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r16453 | bugman | 2012-05-25 09:47:49 +0200 (Fri, 25 May 2012) | 10 lines
The model-free minimisation is now checking for multiple vectors per spin, and raises a RelaxError.
This is in response to James Nyirenda's <jamesn7414 att yahoo dott com> post at
https://mail.gna.org/public/relax-users/2012-05/msg00023.html (Message-id:
<1337916876.99384.YahooMailNeo@...>).
The RelaxMultiVectorError has been modified to accept a spin ID. This error is now raised if
multiple vectors exist per spin, as model-free analysis cannot handle this.
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r16454 | bugman | 2012-05-25 11:30:38 +0200 (Fri, 25 May 2012) | 7 lines
Fix for a bug introduced at r16453.
The structure.vectors user function will now store single vectors as a 3D, rank-1 array. In some
cases this was being stored as a list of 3D, rank-1 arrays which was then failing in with the
RelaxMultipleVectorError in the model-free code.
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