Problem with importing orca data

[sc262]

Hello, when I am trying to import the results of an orca calculation using the files attached herewith. I end up with two different errors each time.

Sys = orca2easyspin('test1.prop');

Error using reshape
To RESHAPE the number of elements must not change.

Error in orca2easyspin (line 93)



Error in myfit (line 22)
Sys = orca2easyspin('test1.prop');

Sys = orca2easyspin('test2.prop');

Undefined function or variable "QFrame".

Error in orca2easyspin (line 170)



Error in myfit (line 22)
Sys = orca2easyspin('test2.prop');


Looking forward to hear from you.

Thanks

[Stefan Stoll]

Hi, this looks like a bug. Can you please post the ORCA input files, and also tell us which version of ORCA you are using?

[Stefan Stoll]

test2.prop actually works fine with the current EasySpin version 5.0.5.

For test1.prop, please post the corresponding ORCA input and output files.

[sc262]

Hi Stefan, It is working fine with the new version of Easyspin. Thanks

[Stefan Stoll]

Great!