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Molecular dynamics by NMR data analysis
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SVN archive Commit Log
| Commit | Date | |
|---|---|---|
|
[r24001]
by
tlinnet
Changed unit test of MMQ CR72 to pass. dw needs to be of numpy structure. Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis. |
2014-06-16 20:11:33 | Tree |
|
[r24000]
by
tlinnet
Changed MMQ CR72 to use multi dimensional data. Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis. |
2014-06-16 18:23:38 | Tree |
|
[r23999]
by
tlinnet
Removed power to be parsed to MMQ CR72, since it is not used. Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis. |
2014-06-16 18:23:36 | Tree |
|
[r23998]
by
tlinnet
Removed number of points to be parsed to model MMQ CR72. Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis. |
2014-06-16 18:23:34 | Tree |
|
[r23997]
by
tlinnet
Temporary removed check for dw = 0.0 in MMQ CR72. Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis. |
2014-06-16 17:58:19 | Tree |
|
[r23996]
by
tlinnet
Removed looping over spin and frequencies for model MMD CR72. Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis. |
2014-06-16 17:58:17 | Tree |
|
[r23995]
by
tlinnet
Moved the calculation of dw and dwH out of for loops for model MMQ CR72. Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis. |
2014-06-16 17:58:14 | Tree |
|
[r23994]
by
tlinnet
Removed fatal print for python 3 in unit tests. Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis. |
2014-06-16 17:58:12 | Tree |
|
[r23993]
by
tlinnet
Restructured frqs_H to higher dimension in target function. Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis. |
2014-06-16 17:58:10 | Tree |
|
[r23992]
by
tlinnet
Implemented a frqs_squared calculation in the init of target function. This is to speed up the calculations. Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis. |
2014-06-16 17:05:38 | Tree |
