I would say that +/- 360 degrees would come in handy. Certainly, that would cover each rotation dimension twice over, but sometimes fits of frames end up at negative rotations and it would be nice to be able to visualize them manually.
Search found 242 matches
- Fri Jun 10, 2022 7:08 am
- Forum: Bugs
- Topic: Rotview negative angles
- Replies: 2
- Views: 8805
- Sun Jun 05, 2022 9:20 am
- Forum: General forum
- Topic: How to include J/ee between two systems
- Replies: 4
- Views: 3488
Re: How to include J/ee between two systems
- Thu Mar 31, 2022 7:26 am
- Forum: Bugs
- Topic: Rotview negative angles
- Replies: 2
- Views: 8805
Rotview negative angles
A very minor bug for rotview
: the graphical output of does not accept negative rotations, although the command line invocation can accept, calculate and plot them just fine.
It is the sliders in the plotted figure that cannot handle negative values.
That's all!
- Wed Mar 23, 2022 2:27 am
- Forum: General forum
- Topic: Matrix block diagonalization
- Replies: 3
- Views: 3240
Matrix block diagonalization
Hello,
I would like to do a curry
calculation of a very large system (five Gd(III) ions). Fortunately, the system is isotropic, so block diagonalization of the Hamiltonian is a valid approach.
Does ES do this, either automatically, or through an option?
Thanks!
- Thu Dec 16, 2021 4:04 pm
- Forum: General forum
- Topic: Cu and 51V simulation attempts
- Replies: 6
- Views: 7410
Re: Cu and 51V simulation attempts
Seems like fluid solution spectra?
The first is simulated with pepper (which is for powders and frozen solutions) and the latter with garlic, but without defining a tcorr.
Maybe try out garlic with tcorr?
- Tue Nov 09, 2021 8:58 am
- Forum: General forum
- Topic: Orientation/field-dependent line widths
- Replies: 4
- Views: 6451
Re: Orientation/field-dependent line widths
You may see that the flat parts of the simulations do not follow the parts where Tm has drop-offs.
- Tue Nov 09, 2021 8:56 am
- Forum: General forum
- Topic: Orientation/field-dependent line widths
- Replies: 4
- Views: 6451
Re: Orientation/field-dependent line widths
Here are the spectra files and a fitting script.
- Wed Oct 06, 2021 3:20 am
- Forum: General forum
- Topic: Orientation/field-dependent line widths
- Replies: 4
- Views: 6451
Orientation/field-dependent line widths
- Tue Oct 05, 2021 12:27 am
- Forum: General forum
- Topic: Rescale function error
- Replies: 2
- Views: 3671
Re: Rescale function error
Yes that did the trick!
Thank you Matt.
- Mon Oct 04, 2021 10:43 am
- Forum: General forum
- Topic: Rescale function error
- Replies: 2
- Views: 3671