Search found 1028 matches
- Sat Apr 13, 2024 12:02 pm
- Forum: General forum
- Topic: Optimising simulations to match data from non-standard setups
- Replies: 1
- Views: 204
Re: Optimising simulations to match data from non-standard setups
- Thu Apr 11, 2024 8:57 am
- Forum: General forum
- Topic: Easyspin compile required for esfit version 6.0.0
- Replies: 7
- Views: 395
Re: Easyspin compile required for esfit version 6.0.0
Thanks for reporting this. Unclear what it going on. Can you please type easyspin
in the Command Window and post the output here?
Re: script
If you want to simulate the effect of rotational tumbling (S.logtcorr
), you need to provide full g and A tensors in S.g
and S.A
, not just their isotropic averages.
- Mon Apr 01, 2024 10:36 pm
- Forum: Announcements
- Topic: EasySpin 6 is released!
- Replies: 0
- Views: 645
EasySpin 6 is released!
- Mon Apr 01, 2024 10:45 am
- Forum: Bugs
- Topic: Automatic definition of Exp.nPoints for esfit() function
- Replies: 11
- Views: 9157
Re: Automatic definition of Exp.nPoints for esfit() function
We are not planning to implement this. EasySpin has no control over custom simulation functions, and Exp.nPoints
might mean something else in a custom function. Also, we don't want to impose any restrictions on fields for custom functions.
- Mon Apr 01, 2024 10:43 am
- Forum: General forum
- Topic: URL to newest 6.0 version seems to be not working?
- Replies: 2
- Views: 222
Re: URL to newest 6.0 version seems to be not working?
We just switched to 6.0.0-beta.1 - it's possible that your browsers showed the cached page, reloading the page should help in this case.
- Thu Mar 28, 2024 10:51 am
- Forum: Announcements
- Topic: EasySpin online office hour: Wed May 15 2024 at 10:30am PDT
- Replies: 0
- Views: 311
EasySpin online office hour: Wed May 15 2024 at 10:30am PDT
- Wed Mar 27, 2024 10:45 pm
- Forum: Bugs
- Topic: Automatic definition of Exp.nPoints for esfit() function
- Replies: 11
- Views: 9157
Re: Automatic definition of Exp.nPoints for esfit() function
esfit
checks and sets Exp.nPoints
only if the simulation function is pepper
, garlic
, chili
or salt
.
- Wed Mar 27, 2024 10:43 pm
- Forum: General forum
- Topic: explicit A-matrix for saffron ENDOR simulations
- Replies: 4
- Views: 5430
Re: explicit A-matrix for saffron ENDOR simulations
Looking more into this, the reason for EasySpin's failure to determine the correct symmetry is that the magnitude of the tensor is so small compared to the microwave frequency. We'll fix this.
- Wed Mar 27, 2024 3:52 pm
- Forum: General forum
- Topic: explicit A-matrix for saffron ENDOR simulations
- Replies: 4
- Views: 5430
Re: explicit A-matrix for saffron ENDOR simulations
It could be that the automatic grid symmetry determination is failing in this case.
Try setting Opt.GridSymmetry = 'D2h'
or Opt.GridSymmetry = 'Ci'
and look if this eliminates the difference.