r18262 - in /trunk: maths_fns/n_state_model.py maths_fns/pcs.py specific_fns/n_state_model.py -- January 22, 2013 - 23:07

Author: bugman
Date: Tue Jan 22 23:07:02 2013
New Revision: 18262

URL: http://svn.gna.org/viewcvs/relax?rev=18262&view=rev
Log:
First attempt at implementing the paramagnetic centre position gradient in 
the N-state model.

This will be used for faster optimisation of the lanthanide position.  Two 
new functions have been
added:
    maths_fns.pcs.ave_pcs_tensor_ddeltaij_dc()
    maths_fns.pcs.pcs_constant_grad()

These are used by the dfunc_*() methods of the N-state model target function 
class.


Modified:
    trunk/maths_fns/n_state_model.py
    trunk/maths_fns/pcs.py
    trunk/specific_fns/n_state_model.py

[This mail would be too long, it was shortened to contain the URLs only.]

Modified: trunk/maths_fns/n_state_model.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/maths_fns/n_state_model.py?rev=18262&r1=18261&r2=18262&view=diff

Modified: trunk/maths_fns/pcs.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/maths_fns/pcs.py?rev=18262&r1=18261&r2=18262&view=diff

Modified: trunk/specific_fns/n_state_model.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/specific_fns/n_state_model.py?rev=18262&r1=18261&r2=18262&view=diff