Changeset 4e219a3 for SMMP.kdevelop.filelist

Timestamp:

09/05/08 11:49:43 (16 years ago)

Author:

baerbaer <baerbaer@…>

Branches:

master

Children:

a52fb83

Parents:

229cc35

Message:

Update Lund init and BG/P compatibility.

• Moved call of init_lundff after initialization of the molecule. The Lund

force field needs the molecule to calculate the hydrophobicity matrix.

• Added bgp target to Makefile to compile SMMP on a BlueGene/P
• Split if statement in setmvs to avoid out-of-range warning for array

access.

• Changed setup of boundaries in Protein.zimmer() to match new version of

numpy.

git-svn-id: ​svn+ssh://svn.berlios.de/svnroot/repos/smmp/trunk@15 26dc1dd8-5c4e-0410-9ffe-d298b4865968

File:

• SMMP.kdevelop.filelist (modified) (3 diffs)

SMMP.kdevelop.filelist

@@ -1 +1 @@
 # KDevelop Custom Project File List
+EXAMPLES
+EXAMPLES/Makefile
+EXAMPLES/Python
+EXAMPLES/Python/annealing.py
+EXAMPLES/Python/gui_example.py
+EXAMPLES/Python/minimization.py
+EXAMPLES/Python/muca.py
+EXAMPLES/Python/regularization.py
+EXAMPLES/annealing.f
+EXAMPLES/minimization.f
+EXAMPLES/multicanonical.f
+EXAMPLES/parallel_tempering_p.f
+EXAMPLES/parallel_tempering_s.f
+EXAMPLES/partem_p.f
+EXAMPLES/regularization.f
+INCL.H
+INCP.H
+Makefile
 addend.f
 algorithms.py
@@ -23 +41 @@
 enysol_p.f
 esolan.f
-EXAMPLES
-EXAMPLES/annealing.f
-EXAMPLES/Makefile
-EXAMPLES/minimization.f
-EXAMPLES/multicanonical.f
-EXAMPLES/parallel_tempering_p.f
-EXAMPLES/parallel_tempering_s.f
-EXAMPLES/partem_p.f
-EXAMPLES/Python
-EXAMPLES/Python/annealing.py
-EXAMPLES/Python/gui_example.py
-EXAMPLES/Python/minimization.py
-EXAMPLES/Python/muca.py
-EXAMPLES/Python/regularization.py
-EXAMPLES/regularization.f
 eyabgn.f
 getmol.f
@@ -43 +46 @@
 hbond.f
 helix.f
-INCL.H
 incl_lund.h
-INCP.H
 init_energy.f
 init_molecule.f
+main.f
+main.py
 main_bgl_p.f
-main.f
 main_p.f
-main.py
-Makefile
 metropolis.f
 mincjg.f