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SVN archive Commit Log


Commit Date  
[r13122] by han87

changing the description in the user functions load_spins() and read_xyz().

An example for loading the spins for xyz file format was added in the description of the user function load_spins() and the description of the user function read_xyz() was changed. Both user functions are located in 'prompt/structure.py'.

2011-06-20 13:52:58 Tree
[r13121] by han87

Debugging the user functions load_xyz() and test_read_xyz_internal2().

The user functions load_xyz() in 'generic_fns/structure/internal.py' and test_read_xyz_internal2() in 'test_suite/system_tests/structure.py' have been changed so that the molecule name can be read properly.

2011-06-20 08:07:35 Tree
[r13120] by semor

Modified the function for checking the inversion-recovery curve fitting results.

The function was still looking for 'exp_2param_neg' fitting...

2011-06-17 16:29:14 Tree
[r13119] by semor

Renamed the function for checking the curve fitting results.

2011-06-17 16:23:27 Tree
[r13118] by semor

Renamed the function for checking the curve fitting results.

2011-06-17 16:22:55 Tree
[r13117] by semor

The system test script for the inversion-recovery function now uses the good function.

2011-06-17 16:20:51 Tree
[r13116] by semor

Created a system test script for the inversion-recovery function.

This is based on a copy of the script 'relax_fit_exp_2param_neg.py'.

2011-06-17 16:18:43 Tree
[r13115] by semor

Created a new test for the 'exp_3param_inv_neg' (inversion-recovery) function.

This is based on a duplication of 'relax_fit.test_curve_fitting_volume_exp_2param_neg()'.

2011-06-17 16:17:22 Tree
[r13114] by semor

Added '_exp_2param_neg' in the name for the tests currently using the function 'exp_2param_neg'.

This is the first step before making a test for the 'inversion-recovery' function 'exp_3param_inv_neg'.

2011-06-17 15:23:14 Tree
[r13113] by semor

Modified the tests (and sample script) for the new name of the exponential decay function.

Indeed, the name 'exp' for the exponential decay function has been changed to
'exp_2param_neg'.

2011-06-17 15:20:03 Tree
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