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SVN archive Commit Log


Commit Date  
[r8813] by semor

Added the 'c_chi2' code for compilation with the relaxation dispersion C module.

Whether or not this change will be conserved will be discussed in a thread started at:
https://mail.gna.org/public/relax-devel/2009-02/msg00000.html
(Message-id: <4989C496.8030907@...>)

2009-02-17 14:15:39 Tree
[r8812] by bugman

Added the Pales output file.

2009-02-17 10:22:03 Tree
[r8811] by bugman

Added comments saying what the gyromagnetic ratio constants used in Pales are.

2009-02-17 10:03:19 Tree
[r8810] by bugman

Modified the NH bond length to be 1.041 Angstrom in the system test script.

This is from Ottiger, M. and Bax A., J. Am. Chem. Soc. (1998), 120, 12334-12341.

2009-02-17 09:56:07 Tree
[r8809] by bugman

Modified the NH bond length to be 1.041 Angstrom.

This is from Ottiger, M. and Bax A., J. Am. Chem. Soc. (1998), 120, 12334-12341.

2009-02-17 09:08:28 Tree
[r8808] by bugman

Added a debugging print out.

2009-02-16 13:22:13 Tree
[r8807] by bugman

Modified the print out to remove the broken Eigenvalue sum and add the Saupe order matrix.

2009-02-16 10:45:40 Tree
[r8806] by bugman

The RDC data is now formatted for Pales, to check the synthetic test model and relax.

2009-02-16 10:34:05 Tree
[r8805] by bugman

Modified how the generic peak intensity file is detected.

The change is that if no other formats are detected, relax falls back to the generic format.

2009-02-15 18:05:15 Tree
[r8804] by bugman

When finding attached atoms, the radius of atoms assumed to be bonded has been increased to 2 Angstrom.

2009-02-15 13:54:29 Tree
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