r25550 - in /branches/est_par_error/specific_analyses/relax_disp: api.py optimisation.py -- September 02, 2014 - 15:29

Author: tlinnet
Date: Tue Sep  2 15:29:05 2014
New Revision: 25550

URL: http://svn.gna.org/viewcvs/relax?rev=25550&view=rev
Log:
Opened for the possibility to BFGS as minimisation methods.

task #7824(https://gna.org/task/index.php?7824): Model parameter ERROR 
estimation from Jacobian and Co-variance matrix of dispersion models.

Modified:
    branches/est_par_error/specific_analyses/relax_disp/api.py
    branches/est_par_error/specific_analyses/relax_disp/optimisation.py

Modified: branches/est_par_error/specific_analyses/relax_disp/api.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/est_par_error/specific_analyses/relax_disp/api.py?rev=25550&r1=25549&r2=25550&view=diff
==============================================================================
--- branches/est_par_error/specific_analyses/relax_disp/api.py  (original)
+++ branches/est_par_error/specific_analyses/relax_disp/api.py  Tue Sep  2 
15:29:05 2014
@@ -618,6 +618,14 @@
                 elif match('^[Ss]implex$', algor):
                     allow = True
 
+                # Quasi-Newton BFGS minimisation.
+                elif match('^[Bb][Ff][Gg][Ss]$', algor):
+                    allow = True
+
+                # Constrained method, Logarithmic barrier function.
+                elif match('^[Ll]og [Bb]arrier$', algor):
+                    allow = True
+
         # Do not allow, if no model has been specified.
         else:
             model_type = 'None'

Modified: branches/est_par_error/specific_analyses/relax_disp/optimisation.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/est_par_error/specific_analyses/relax_disp/optimisation.py?rev=25550&r1=25549&r2=25550&view=diff
==============================================================================
--- branches/est_par_error/specific_analyses/relax_disp/optimisation.py 
(original)
+++ branches/est_par_error/specific_analyses/relax_disp/optimisation.py Tue 
Sep  2 15:29:05 2014
@@ -638,7 +638,7 @@
 
         # Minimisation.
         else:
-            results = generic_minimise(func=model.func, args=(), 
x0=self.param_vector, min_algor=self.min_algor, min_options=self.min_options, 
func_tol=self.func_tol, grad_tol=self.grad_tol, maxiter=self.max_iterations, 
A=self.A, b=self.b, full_output=True, print_flag=self.verbosity)
+            results = generic_minimise(func=model.func, dfunc=model.dfunc, 
args=(), x0=self.param_vector, min_algor=self.min_algor, 
min_options=self.min_options, func_tol=self.func_tol, grad_tol=self.grad_tol, 
maxiter=self.max_iterations, A=self.A, b=self.b, full_output=True, 
print_flag=self.verbosity)
 
             # Unpack the results.
             if results == None: