Installation succeeded but failed to run

[ShawnCHENGRH]

Dear Pete,

It was a amazing work for those who need to write *.data files. And Thank you for your selfless sharing.

Recently, I tried to generate the data file of IRMOF-1 with your code. However, after a successful installation, I ran the code with an error as shown in the following figure. Could you tell me what caused this problem?

I am looking forward to your reply.

Cheng
China-EU Institute for Clean and Renewable Energy at Huazhong University of Science & Technology
Email:chengruihuan@hust.edu.cn

[peteboyd]

Hi Cheng,
Hard to say but I suspect it has something to do with the version of networkx you are using. This might be related to issue #24. I will, when I get a free moment, make the code forward compatible but in the meantime you might want to use a version of networkx <= 2.3.

It also appears you are running an anaconda prompt from a windows machine. I've only ever tested the code on linux/unix based operating systems and so you might experience problems with your current setup that I cannot fix.

[peteboyd]

Possibly fixed with commit 371d5d9

re-open if you are still having issues.

[peteboyd]

Hi Cheng, I’ve updated the code to work with networkx 2.3+ I think you will have to try with the latest version of networkx (2.4 i think) you will also have to reinstall the latest release of lammps interface (v 0.1.2)

…

On Nov 30, 2019, at 10:46 AM, ShawnCHENGRH ***@***.***> wrote: Hi Pete, I have successfully installed lammps interface in the Linux system interface and checked the version of NetWorx with version 1.11, and then used the IRMOF-1.cif file you provided , but it still failed to run successfully. The error showed in the second figure, do you have any good solutions? Looking forward to your reply. Cheng China-EU Institute for Clean and Renewable Energy at Huazhong University of Science & Technology ***@***.*** ***@***.***> <https://user-images.githubusercontent.com/50262045/69902701-9f4af500-13cb-11ea-943c-b749266cc22b.jpg> <https://user-images.githubusercontent.com/50262045/69902704-a4a83f80-13cb-11ea-9a1c-94cc7e408e23.jpg> — You are receiving this because you modified the open/close state. Reply to this email directly, view it on GitHub <#25?email_source=notifications&email_token=ADUHJBU7VQMZDYKDLJU5CQLQWKDGVA5CNFSM4JRICB42YY3PNVWWK3TUL52HS4DFVREXG43VMVBW63LNMVXHJKTDN5WW2ZLOORPWSZGOEFQLICQ#issuecomment-559985674>, or unsubscribe <https://github.com/notifications/unsubscribe-auth/ADUHJBUFMH75UAS7763A4JLQWKDGVANCNFSM4JRICB4Q>.

[ShawnCHENGRH]

Hi Pete, I have successfully run the program and built the data file of IRMOF-1 according to your instructions. Next, I will test the files other than the CIF you provided . Thank you again for your selfless sharing and timely reply.