### Author Topic: Steinhardt order parameters  (Read 794 times)

#### avik

• Newbie
• Posts: 1
##### Steinhardt order parameters
« on: September 14, 2018, 06:19:58 PM »
Is it possible to calculate the Steinhardt order parameters (Phys. Rev. B 28 784–805) from OVITO?

#### Alexander Stukowski

• Sr. Member
• Posts: 499
##### Re: Steinhardt order parameters
« Reply #1 on: September 15, 2018, 10:39:00 AM »
No, Steinhardt parameter calculation is currently not a built-in function of OVITO.

If you are interested in doing this calculation with OVITO, it would be possible to write a user-defined modifier function in Python that implements the calculation of the Steinhardt parameters. The scripting documentation contains a code example demonstrating the calculation of a local order parameter from the neighbor vectors of an atom, which can serve as a good starting point:

Ovito 3.0-dev:
http://ovito.org/manual_testing/python/introduction/examples.html#example-m2-custom-order-parameter-calculation

Ovito 2.9.0:

#### Alexander Stukowski

• Sr. Member
• Posts: 499
##### Re: Steinhardt order parameters
« Reply #2 on: September 15, 2018, 10:44:01 AM »
This is not related to OVITO, but here is a simple C++ code I wrote more than 6 years ago for a review paper which can calculate the Steinhardt parameters (at least some of them):

http://asa.ovito.org

#### Reza

• Newbie
• Posts: 3
##### bond order analysis
« Reply #3 on: October 02, 2018, 01:02:58 PM »
Could you please let me know how to apply "bond order parameter analysis"?
I cannot find it on the

Thanks
Reza

#### Reza

• Newbie
• Posts: 3
##### Re: Steinhardt order parameters
« Reply #4 on: October 03, 2018, 02:14:12 AM »
Thanks a lot!

#### Alexander Stukowski

• Sr. Member
• Posts: 499
##### Re: Steinhardt order parameters
« Reply #5 on: October 05, 2018, 05:08:02 PM »
OVITO doesn’t have a function with this name. I’m not sure what is meant with that. Please let me know where you found the term “bond order parameter analysis”. The I can tell you if it is available in OVITO, perhaps under a different name.

#### Reza

• Newbie
• Posts: 3
##### Re: Steinhardt order parameters
« Reply #6 on: October 21, 2018, 12:12:58 PM »
have a look at here:

#include "BondOrderParameterAnalysis.h"

~asa-code-1.0.1/src/analysis/bop