2D Phasediagram: call to matplotlib functions doesn't work

[MCVifpen]

Hello,

When I run the jupyter notebook example for phases diagrams the script crushes at the last step, when it should create the 2D phase diagram for CO adsorption on the Pt surface. The error message is related to matplotlib (please, see the below figure).

I'm not familiar with matplotlib, but it looks as if the code is having some trouble to normalize the energy scale and assing a color to the energy values. I do not know how to control that from pmutt.

Could you please help me to find a solution to this problem ?

Thank you.

Kind regards, Manuel

[MCVifpen]

Hi,

I got it! pcolormesh doesn't support vmin, vmax values when a norm is given. So I commented some lines in the plot_2D code and it works. c = plt.pcolormesh(x1_mesh, x2_mesh, stable_phases, cmap=cmap, norm=norm)#,

vmin=0,

    #                   vmax=len(phase_diagram.reactions))

It's strange that other people didn't have the same issue before.

Regards, Manuel

P.S.: Is pmutt still maitained ?

[jonlym]

Hi, I guess I'm a little late to this. I'm glad you figured it out. To your question, pmutt isn't actively maintained. I need to get back on the wagon when I have some free time!

[wittregr]

Manuel,

Thanks for the feedback. Yes, pMuTT is still being maintained by me. In the last few months, I have been writing my thesis and have had no time to devote to pMuTT. I successfully defended my thesis last week and will now transition into a role that will allow me to better support pMuTT. I will consider if there is a code modification here that we would like to include in the published code to support your reuorement.

Gerhard R Wittreich, Ph.D., P.E. Vlachos Research Group Harker ISE Lab-364 Chemical and Biomolecular Engineering, University of Delaware

On Fri, May 13, 2022 at 4:06 AM MCVifpen @.***> wrote:

Hi,

I got it! pcolormesh doesn't support vmin, vmax values when a norm is given. So I commented some lines in the plot_2D code and it works. c = plt.pcolormesh(x1_mesh, x2_mesh, stable_phases, cmap=cmap, norm=norm)#,

vmin=0,

vmax=len(phase_diagram.reactions))

It's strange that other people didn't have the same issue before.

Regards, Manuel

P.S.: Is pmutt still maitained ?

— Reply to this email directly, view it on GitHub https://github.com/VlachosGroup/pMuTT/issues/194#issuecomment-1125771126, or unsubscribe https://github.com/notifications/unsubscribe-auth/AFZNUZJOKHKMREMKCPMH2JLVJYEQPANCNFSM5U6DU5BA . You are receiving this because you are subscribed to this thread.Message ID: @.***>

[MCVifpen]

Dear Gerhard,

Thank you very much for your message and all the best for your PhD defence!

Kind regards, M. Corral

De : Gerhard R Wittreich, PhD, PE @.> Envoyé : mardi 11 octobre 2022 11:20 À : VlachosGroup/pMuTT @.> Cc : CORRAL VALERO Manuel @.>; Author @.> Objet : [EXT] Re: [VlachosGroup/pMuTT] 2D Phasediagram: call to matplotlib functions doesn't work (Issue #194)

Manuel,

Thanks for the feedback. Yes, pMuTT is still being maintained by me. In the last few months, I have been writing my thesis and have had no time to devote to pMuTT. I successfully defended my thesis last week and will now transition into a role that will allow me to better support pMuTT. I will consider if there is a code modification here that we would like to include in the published code to support your reuorement.

Gerhard R Wittreich, Ph.D., P.E. Vlachos Research Group Harker ISE Lab-364 Chemical and Biomolecular Engineering, University of Delaware

On Fri, May 13, 2022 at 4:06 AM MCVifpen @.<mailto:@.>> wrote:

Hi,

I got it! pcolormesh doesn't support vmin, vmax values when a norm is given. So I commented some lines in the plot_2D code and it works. c = plt.pcolormesh(x1_mesh, x2_mesh, stable_phases, cmap=cmap, norm=norm)#,

vmin=0,

vmax=len(phase_diagram.reactions))

It's strange that other people didn't have the same issue before.

Regards, Manuel

P.S.: Is pmutt still maitained ?

— Reply to this email directly, view it on GitHub https://github.com/VlachosGroup/pMuTT/issues/194#issuecomment-1125771126, or unsubscribe https://github.com/notifications/unsubscribe-auth/AFZNUZJOKHKMREMKCPMH2JLVJYEQPANCNFSM5U6DU5BA . You are receiving this because you are subscribed to this thread.Message ID: @.<mailto:@.>>

— Reply to this email directly, view it on GitHubhttps://github.com/VlachosGroup/pMuTT/issues/194#issuecomment-1274385059, or unsubscribehttps://github.com/notifications/unsubscribe-auth/AQDTCEW7FFGIFMUBR6O37ALWCUWLJANCNFSM5U6DU5BA. You are receiving this because you authored the thread.Message ID: @.**@.>> Courriel externe : Ce mail vous est adressé par un interlocuteur externe à IFPEN. Signalez ce message à l’assistance @.***> si l’adresse de l’émetteur ou le contenu vous paraissent suspects.

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