Menu

SVN archive Commit Log


Commit Date  
[r24312] by bugman

The pivot to atom vectors, and the reverse vectors, are no longer set up in the __init__() method.

This is for the frame order target functions. The structures are generated in the calc_vectors()
method via a dot product, and hence do not need to be initialised.

2014-06-25 08:27:03 Tree
[r24311] by bugman

Created a frame order optimisation script for the CaM double rotor test suite data.

This is the script used for testing the implementation, it will not be used in the test suite.

2014-06-25 07:47:33 Tree
[r24310] by bugman

Corrected the printout from the CaM frame order data generation base script.

The number of states used in the distribution of domain positions is now correctly reported for the
models with multiple modes of motion.

2014-06-25 07:37:14 Tree
[r24309] by bugman

Created a new synthetic CaM data set for the double rotor frame order model.

This is the same as the test_suite/shared_data/frame_order/cam/double_rotor data except that the
angles have been increased from 11.5 and 10.5 degrees to 85.0 and 55.0 for the two torsion angles.
This is to help in debugging the double rotor model as the original test data is too close to the
rigid state to notice certain issues.

2014-06-25 07:35:40 Tree
[r24308] by tlinnet

Triple speed in NS MMQ 3site, after using numpy.linalg.matrix_power instead of the lib version in relax.

Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis.

2014-06-25 01:41:07 Tree
[r24307] by tlinnet

Comment and spell fixing in NS CPMG 2site 3d.

Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis.

2014-06-25 01:41:05 Tree
[r24306] by tlinnet

Small fix for making sure that power is a integer in ns mmq 2site.

Following system tests was failing.
- Relax_disp.test_korzhnev_2005_15n_dq_data
- Relax_disp.test_korzhnev_2005_15n_sq_data
- Relax_disp.test_korzhnev_2005_15n_zq_data
- Relax_disp.test_korzhnev_2005_1h_sq_data
- Relax_disp.test_korzhnev_2005_all_data
- Relax_disp.test_korzhnev_2005_all_data_disp_speed_bug

They should already be integers, but is now solved.

Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis.

2014-06-25 01:41:04 Tree
[r24305] by tlinnet

Triple speed in NS MMQ 2site, after using numpy.linalg.matrix_power instead of the lib version in relax.

Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis.

2014-06-25 01:41:02 Tree
[r24304] by tlinnet

Double speed in NS CPMG 2site star, after using numpy.linalg.matrix_power instead of the lib version in relax.

Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis.

2014-06-25 01:41:00 Tree
[r24303] by tlinnet

Changes to unit test of NS CPMG 2site 3D.

This is after the new initiated M0 matrix in init of target function.

Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis.

2014-06-25 00:14:52 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.