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Molecular dynamics by NMR data analysis
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SVN archive Commit Log
| Commit | Date | |
|---|---|---|
|
[r24214]
by
tlinnet
Removed the complex64 to be used as dtype in matrix exponential. Fix for missing "_i" in variable. Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis. |
2014-06-20 15:43:00 | Tree |
|
[r24213]
by
tlinnet
Converted ns mmq 3site/sq/dq/zq to calculte the matrix exponential out of the for loops. Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis. |
2014-06-20 15:42:58 | Tree |
|
[r24212]
by
tlinnet
Moved the calculation of the matrix exponential out of for loops for ns mmq 3site mq. Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis. |
2014-06-20 15:42:56 | Tree |
|
[r24211]
by
tlinnet
Started using the newly created highher dimensional Bloch-McConnell matrix for 3-site exchange. Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis. |
2014-06-20 15:42:54 | Tree |
|
[r24210]
by
tlinnet
Inserted a check, that the new higher dimensional m1 and m2 matrixes are equal to before. They are, to the 5 digit. Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis. |
2014-06-20 15:42:53 | Tree |
|
[r24209]
by
tlinnet
Implemented the Bloch-McConnell matrix for 3-site exchange, for multidimensional data. Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis. |
2014-06-20 15:42:51 | Tree |
|
[r24208]
by
tlinnet
Removed m1 and m2 to be sent to lib function of ns mmq 2site, since they are now populated inside the lib function. Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis. |
2014-06-20 15:42:48 | Tree |
|
[r24207]
by
tlinnet
Moved the Bloch-McConnell matrix for 3-site exchange, into the lib/dispersion/ns_matrices.py. This is to standard the code. Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis. |
2014-06-20 13:48:35 | Tree |
|
[r24206]
by
tlinnet
Code cleanup and copyright adding to lib/dispersion/ns_matrices.py. Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis. |
2014-06-20 13:48:33 | Tree |
|
[r24205]
by
tlinnet
Moved the matrices for Bloch-McConnell from lib ns_mmq_2site, since they are now defined in ns_matrices.py Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis. |
2014-06-20 13:22:21 | Tree |
