Search found 1028 matches

by Stefan Stoll
Sat Apr 13, 2024 12:02 pm
Forum: General forum
Topic: Optimising simulations to match data from non-standard setups
Replies: 1
Views: 174

Re: Optimising simulations to match data from non-standard setups

Unless the instrument uses frequency or field modulation, or you are taking a numerical derivative, set Exp.Harmonic=0 . Regarding phasing etc, it really depends on the specific instrument. In the simulation, phase can be controlled via Exp.mwPhase . If you are just measuring transmission without ph...
by Stefan Stoll
Thu Apr 11, 2024 8:57 am
Forum: General forum
Topic: Easyspin compile required for esfit version 6.0.0
Replies: 7
Views: 306

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?

by Stefan Stoll
Wed Apr 03, 2024 4:27 pm
Forum: Bugs
Topic: script
Replies: 2
Views: 142

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.

by Stefan Stoll
Mon Apr 01, 2024 10:36 pm
Forum: Announcements
Topic: EasySpin 6 is released!
Replies: 0
Views: 498

EasySpin 6 is released!

Hello EasySpin community, We are excited to announce that EasySpin 6.0.0 has been released! It's been in the making for a long time. EasySpin 6 has a lot of new features, see the release notes . For those migrating from version 5.2.x, there's a detailed migration guide . As always, please post here ...
by Stefan Stoll
Mon Apr 01, 2024 10:45 am
Forum: Bugs
Topic: Automatic definition of Exp.nPoints for esfit() function
Replies: 11
Views: 8924

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.

by Stefan Stoll
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: 180

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.

by Stefan Stoll
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: 232

EasySpin online office hour: Wed May 15 2024 at 10:30am PDT

Hello EasySpin user community, The next EasySpin office hour is on Wednesday May 15 2024 at 10:30am PDT (Pacific Daylight Time). Drop in with your question, and we will do the best to address it. Or come and share your awesome EasySpin scripts. Or just stop by to say Hi! Join us at https://washingto...
by Stefan Stoll
Wed Mar 27, 2024 10:45 pm
Forum: Bugs
Topic: Automatic definition of Exp.nPoints for esfit() function
Replies: 11
Views: 8924

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.

by Stefan Stoll
Wed Mar 27, 2024 10:43 pm
Forum: General forum
Topic: explicit A-matrix for saffron ENDOR simulations
Replies: 4
Views: 5373

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.

by Stefan Stoll
Wed Mar 27, 2024 3:52 pm
Forum: General forum
Topic: explicit A-matrix for saffron ENDOR simulations
Replies: 4
Views: 5373

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.