Commit | Date | |
---|---|---|
[r17100]
by
bugman
Fixes for the N_state_model.test_stereochem_analysis system test for the interatomic data design. Now all N-state model tests pass. |
2012-06-28 14:21:20 | Tree |
2012-06-28 14:06:40 | Tree | |
[r17098]
by
bugman
Fixes for the N_state_model.test_monte_carlo_sims system test for the interatomic data design. |
2012-06-28 13:57:59 | Tree |
[r17097]
by
bugman
Bug fix for the interatomic_loop() function for when only a single spin ID is used. |
2012-06-28 13:40:35 | Tree |
[r17096]
by
bugman
Fixes for the dipole_pair.define user function uncovered by the Interatomic.test_manipulation system test. |
2012-06-28 13:09:03 | Tree |
2012-06-28 13:08:23 | Tree | |
[r17094]
by
bugman
Expanded the Interatomic.test_manipulation system test to demonstrate a few current failures. |
2012-06-28 12:43:48 | Tree |
[r17093]
by
bugman
Bug fixes for the deselect.interatom and select.interatom user functions. The interatomic data container loops were skipping deselected containers, but these loops must be |
2012-06-28 12:27:49 | Tree |
[r17092]
by
bugman
Some changes to the Interatomic.test_manipulation system test to better test selection/deselection. |
2012-06-28 12:24:44 | Tree |
2012-06-28 12:22:13 | Tree |