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SVN archive Commit Log


Commit Date  
[r13894] by han87

Changing the code in the test_read_xyz_internal2

Test to load a spin of the already loaded model of the molecule.

2011-07-26 15:38:38 Tree
[r13893] by bugman

Removed a debugging print statement.

2011-07-26 15:37:41 Tree
[r13892] by bugman

Redesigned the dauvergne_protocol mode selection.

A special GUI element has been added to the analysis tab with a button that launches a new window
for mode selection. Therefore clicking on 'Execute relax' instantly starts the analysis.

2011-07-26 15:36:59 Tree
[r13891] by han87

Debugging in the generic_fns/structure/main.py

Debugging in the function load_spin in order to load a spin for xyz file properly.

2011-07-26 15:36:01 Tree
[r13890] by bugman

Added the go-bottom oxygen icon.

2011-07-26 15:03:19 Tree
[r13889] by bugman

Added the system-run oxygen icon.

2011-07-26 14:35:16 Tree
[r13888] by bugman

Redesigned the dauvergne_protocol auto-analysis to use a pre-prepared data pipe for data input.

This will allow greater support for the GUI and for model-free analyses of anything non-standard
(for example RNA, DNA, and small molecules).

2011-07-26 13:41:34 Tree
[r13887] by bugman

Redesigned how the auto-analyses are handled by the status singleton.

The init_auto_analysis() has been created, and each analysis has its own status container within the
status.auto_analysis dictionary.

2011-07-26 13:06:37 Tree
[r13886] by bugman

Modified the dauvergne_protocol.py sample script to use the new design of accepting a filled data pipe.

The automatic protocol will soon accept a data pipe filled with sequence data, relaxation data, and
values set.

2011-07-26 12:49:37 Tree
[r13885] by bugman

Removed the 'exclude' file name from the model-free data assembly.

2011-07-26 12:08:03 Tree
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