compile gavrog from source code

[jackshen2028]

Hi @odf

Thanks for providing such a great tool for us!

I am trying to compile gavrog (both systre and 3dt) from the source code because I want to change to code to extract the node and connectivity information during parsing the .cgd files. However, little information can be found from the web. Can you help me with some detailed informations for compiling gavrog source code. By the way, I am using eclipse with jdk 1.8.

If there is an alternative way to extract the node and connectivity information from the cfd file for constructing a unit cell, with which I cound create the lattice geometry with some visualization tools like vtk, please let me know. It will be very grateful.

Best regards!
Jack Shen

[odf]

Hi Jack Shen,

I haven't really used Java in a long, long time, so I can't give instructions on how to compile anything. My recommendation is to write a script in Jython (a Python dialect for the Java virtual machine) and use Systre as a library. An example of such a script, which among other things writes out unit cell data for a number of different embeddings, can be found at jython/analyzeNetsForEpinet.py in this repo. To use it, simply install Jython, make the CLASSPATH environment variable point to Systre.jar, and then run something like jython analyzeNetsForEpinet.py net.cgd.

Hope this helps.

Cheers,
Olaf

[jackshen2028]

Hi Olaf,

Thanks for your reply. I will follow your recommendation to have a try.

Best regards!
Jack