Commit | Date | |
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[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 |
2011-06-17 16:23:27 | Tree | |
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 |
2011-06-17 15:20:03 | Tree |