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smutao avatar smutao commented on May 23, 2024

Hello @andamthe, could you please provide your POSCAR/CONTCAR file and OUTCAR file for that system? I can take a look into this.
You may upload files by dropping them into the text section.

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andamthe avatar andamthe commented on May 23, 2024

Hello @andamthe, could you please provide your POSCAR/CONTCAR file and OUTCAR file for that system? I can take a look into this.
You may upload files by dropping them into the text section.

OUTCAR.txt
I converted it to txt here. My friend use this one and it worked properly in his computer. He does not have student license as I have so I am suspecting the limit due to the student license

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smutao avatar smutao commented on May 23, 2024

Hello @andamthe, could you please provide your POSCAR/CONTCAR file and OUTCAR file for that system? I can take a look into this.
You may upload files by dropping them into the text section.

OUTCAR.txt
I converted it to txt here. My friend use this one and it worked properly in his computer. He does not have student license as I have so I am suspecting the limit due to the student license

Hello @andamthe, thank you for the OUTCAR file. I have reproduced the error on Windows 10 but did not have the same issue on Mac OS.
I have now modified the code and it should be fixed now. You may download the latest code and reinstall to pymol. Please let me know if the problem persists. Thanks.

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andamthe avatar andamthe commented on May 23, 2024

Hello @andamthe, could you please provide your POSCAR/CONTCAR file and OUTCAR file for that system? I can take a look into this.
You may upload files by dropping them into the text section.

OUTCAR.txt
I converted it to txt here. My friend use this one and it worked properly in his computer. He does not have student license as I have so I am suspecting the limit due to the student license

Hello @andamthe, thank you for the OUTCAR file. I have reproduced the error on Windows 10 but did not have the same issue on Mac OS.
I have now modified the code and it should be fixed now. You may download the latest code and reinstall to pymol. Please let me know if the problem persists. Thanks.

I have installed the latest code but the problem persists. Could it be due to the limitation of the license?
What should I do?

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smutao avatar smutao commented on May 23, 2024

Hi @andamthe, I checked again and did got the same issue with Windows pymol. Then, I modified the code and it works on my windows 10 pymol-2.5.0 now.

unnamed

I feel there is some inconsistency in pymol at different operating systems. Is your friend also using windows pymol or a different version of pymol from yours? (The type of license should have no impact on the use of pyvibms.)

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andamthe avatar andamthe commented on May 23, 2024

It is working for me now. Thank you very much.
Best regards.

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andamthe avatar andamthe commented on May 23, 2024

Hi @andamthe, I checked again and did got the same issue with Windows pymol. Then, I modified the code and it works on my windows 10 pymol-2.5.0 now.

unnamed

I feel there is some inconsistency in pymol at different operating systems. Is your friend also using windows pymol or a different version of pymol from yours? (The type of license should have no impact on the use of pyvibms.)

My friend also uses Windows 10 and he is using the version with 1 month of free trial

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smutao avatar smutao commented on May 23, 2024

Hi @andamthe, I'm glad to hear that this problem is now solved for you. Could you please check the version of the pymol you and your friend are using by checking the "About PyMOL"? The version number could be 2.5.0 or else.

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andamthe avatar andamthe commented on May 23, 2024

Hi @andamthe, I'm glad to hear that this problem is now solved for you. Could you please check the version of the pymol you and your friend are using by checking the "About PyMOL"? The version number could be 2.5.0 or else.

I use PyMOL 2.5.0 on Windows and my friend uses PyMOL 2.4.1 on Windows.
I hope it can help.
Best regards

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smutao avatar smutao commented on May 23, 2024

Hi @andamthe, thank you for the information. This could be helpful and I can contact the developers of pymol to report this issue in different versions of pymol.

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