Menu

SVN archive Commit Log


Commit Date  
[r17086] by bugman

Fix for the N_state_model.test_metal_pos_opt system test.

2012-06-28 09:33:02 Tree
[r17085] by bugman

Interatomic data design fix for the N-state model analysis _minimise_bc_data() method.

2012-06-28 09:32:14 Tree
[r17084] by bugman

Fix for the lactose N-state model system test script for the interatomic data design.

The interatomic CH2 vectors are now deselected.

2012-06-28 09:25:49 Tree
[r17083] by bugman

Fixes for the N_state_model.test_pcs_to_rdc system test for the interatomic data design.

2012-06-28 09:13:22 Tree
[r17082] by bugman

Fix for the rdc.write user function backend.

The data is now properly formatted for the relax_io.write_data() function.

2012-06-28 08:56:42 Tree
[r17081] by bugman

Shifted the InteratomContainer.id_match() method into the generic_fns.interatomic module.

This is needed to allow the correct data pipes to be matched.

2012-06-28 08:39:43 Tree
[r17080] by bugman

The InteratomContainer.id_match() method now checks if the spins for the container exist.

This is needed for the InteratomList.add_item() method checks to see if the container already exists
prior to adding it.

2012-06-27 16:07:34 Tree
[r17079] by bugman

Started to convert the Frame Order test suite RDC data to the new interatomic data design.

2012-06-27 16:00:59 Tree
[r17078] by bugman

The interatomic_loop() now skips deselected containers if the new 'selected' flag is True.

This should speed up the function and simplify its usage.

2012-06-27 15:50:45 Tree
[r17077] by bugman

Converted all of the N-state model system and GUI test scripts to the new interatomic data design.

2012-06-27 15:43:37 Tree
Older >
Want the latest updates on software, tech news, and AI?
Get latest updates about software, tech news, and AI from SourceForge directly in your inbox once a month.