WebMO Support Forum

Is there any changes in the cgi script that I can do manually to correctly parse Orca 6 output?

Thanks. I did look at MultiWfn, but found it was quite difficult to use. Mainly I had difficulties with certain type of files that the other QM programs must produce for loading in MultiWfn. With WebMO, which can directly open the output of the other QM programs, in theory, this can performed easier...

To add to this, the second value in the quoted arguments, i.e. '5', seems to corresponds to the job number. If my job number is 13, then the error I get is Key Error: "Too many unknown argument, ['-p', '13', input.inp', 'output.out']". It's as is WebMO is passing the job to psi4 with the a...

To be clear, I did edit the interface via the interface manager under the admin page. I only changed the path to psi4, and hit submit. Then return.

I don't find anything wrong with the psi.int file. All the values after the = sign are all quoted.

I installed the WebMO Basic, and setup the interface to the PSI4 computational engines. Everything was running fine. Then I reinstalled PSI4, and into a different folder. So, I decided to edit the interface. After the interface was edited, I can't run PSI4 job anymore. The error I get every time is,...

Essentially the WebMO Basic with all the visualization features for a single user. All the server stuffs are not needed. Just a single computer with multiple cores. I think there's a gap in orbital/wave property visualization software that can be filled by this type of license. Molden is the most fe...