Can anybody help me with the calculation of tetrahedral order parameter(TOP) of water? Do anybody have the code for the calculation?

Pragin Chettiyankandy @Pragin-Chettiyankandy-2

13 January 2017 0 9K Report

I am trying to write a fortran code for the calculation of TOP of water. In the following link I find that there is a DL POLY subroutine for the calculation of RDF where the calculation of TOP was incorporated. But I am unable to find a documentation for that. Please share if you have any code. Also, please suggest any alternate ways in which I could do this.

https://hal.archives-ouvertes.fr/hal-00514983/document

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