WebMO Support Forum

This capability depends on the information in the program's output file. If the program outputs the geometry of each optimization step, WebMO should parse that. ORCA does this, and the following should work: The structure of each optimization step is available visually in the Results page under Geom...

It sounds like you have not configured WebMO with the orca location. See step 4 in
https://www.webmo.net/support/binaries_linux.html#orca5

For more details on the interface manager, see
https://www.webmo.net/link/help/InterfaceManager.html

If you want to move and upgrade an entire instance (all jobs for all users), then you want to follow https://www.webmo.net/link/help/MovingWebMO.html . Note that with this procedure you FIRST COPY the WebMO 19 instance to a new instance, and THEN UPGRADE the copied instance from WebMO 19 to WebMO 22...

WebMO can access checkpoint files that were created during an earlier WebMO job if one had checked the "Save Checkpoint File" option when running the earlier job. Checking the "Save Checkpoint File" option saves the checkpoint file in that job's folder. It will then appear in the...

Assuming you followed WebMO's installation instructions for Gaussian 16 https://www.webmo.net/support/binaries_linux.html#gaussian16 or something similar, Gaussian executables can only be accessed by users who are a member of the gaussian group (see steps 2 and 6). WebMO typically runs as user "...

Browser Cache Modern web browsers store ("cache") frequently accessed files locally for efficiency reasons. Sometimes browsers do not detect that those files have changed on the server, and the local cache needs to be manually emptied so that the latest version of the file is accessed. Th...

WebMO output is based on the output file of the selected computational chemistry program. In the case of NWChem, the output file contains the point group of the molecule and the symmetries of the molecular orbitals, but it does not contain the symmetries of the molecular vibrations. Therefore, WebMO...

This bug was reported to OpenMOPAC and has been fixed in MOPAC2016 version 22.111 and also in OpenMOPAC.

The issue of parsing partial charges calculated by Gaussian 16 has been resolved in:
https://www.webmo.net/forum/viewtopic.php?p=291#p291

While there are many other reasons to upgrade from WebMO 20 to WebMO 21, the fix for this is so straightforward that folks still running WebMO 20 can easily implement it on their implementations. There was a minor formatting change in the output of g16 from: Population analysis using the SCF density...