Commit | Date | |
---|---|---|
2012-02-03 12:59:08 | Tree | |
[r15301]
by
bugman
Fix for the quasi-random numerical integration of the torsionless frame order model. |
2012-02-03 12:41:03 | Tree |
[r15300]
by
bugman
Fix for the frame order cone PDB creation for the models with the cone_s1 order parameter. The cone angle is no longer stored as cdp.cone_theta, so is now generated on the fly. |
2012-02-03 12:38:36 | Tree |
2012-02-03 11:22:47 | Tree | |
2012-02-03 11:22:00 | Tree | |
[r15297]
by
bugman
Fixes for all of the free-rotor frame order models - the sigma angle needs to be sampled! |
2012-02-03 11:17:21 | Tree |
[r15296]
by
bugman
Set the variable to cut the number of Sobol integration points down to 50 from the default of 200000. The flag for creating the cone PDB file is now also set in all scripts. |
2012-02-03 10:52:40 | Tree |
[r15295]
by
bugman
All of the non-quadratic integration frame order target functions have been converted to quasi-random. This completes the update from Monte Carlo to quasi-random numerical integration. |
2012-02-03 10:41:55 | Tree |
[r15294]
by
bugman
Converted all of the PCS numerical integration methods to use the quasi-random Sobol' sequence data. This is to convert from Monte Carlo to quasi-random numerical integration. |
2012-02-03 10:34:37 | Tree |
[r15293]
by
bugman
The 3 rotor frame order system tests now check the chi2 when using 50 Sobol points. This is very rough, but good enough to test the code. |
2012-02-02 16:43:10 | Tree |