Molcas Forum

Jingtao Chen

Member

Registered: 2020-02-20

Posts: 2

Question about visualize UBAR results

Hey guys, I am trying to figure out how to visualize UBAR results(like Zeeman eigenstates and energy... etc,), and I find that the plot in document looks really great! Could anyone told me how can I draw it or which software should I use? I know that I can use python to deal with it but it need a lot of codes....

This picture is what I need ↓

Last edited by Jingtao Chen (2020-02-20 23:20:46)

chucksty

Member

From: Cambridge, UK

Registered: 2019-07-13

Posts: 26

Website

Re: Question about visualize UBAR results

Hi,
If you have used UBAR and plot together, the plot should be generated for you if you have gnuplot installed. OpenMolcas will extract the required .dat file, plot the graph for you and save the output as a .png file. If you then want to make any modification, like changing colour or font or legends etc, you can simply edit the .plt file molcas would have generated. Alternatively, you can simply extract your data from the .log file and still plot the data using gnuplot. gnuplot is freely available and have tons of video tutorial on youtube on usage. Hope this helps.

David

Jingtao Chen

Member

Registered: 2020-02-20

Posts: 2

Re: Question about visualize UBAR results

Hi david

I did try the gnuplot version but looks far away from sample.... . And I ultimately wrote some python to work around it. but thank you anyway and I would tried to explore gnuplot and make my workflow easier.

Many thanks again

Jingtao

rishu

Member

Registered: 2020-10-03

Posts: 25

Re: Question about visualize UBAR results

Hi.
I haven't got the .dat file from openmolcas while using UBAR and plot together.
So,  how can I visualize them ?