Search found 2 matches

by tpatko
Thu Mar 13, 2025 7:05 pm
Forum: Feature Requests
Topic: real time parsing of ORCA optimization
Replies: 5
Views: 41798

Re: real time parsing of ORCA optimization

Thank you for the detailed instructions. I will follow those steps and let you know if I have any further questions.

Cheers,

Thomas
by tpatko
Wed Mar 05, 2025 11:34 pm
Forum: Feature Requests
Topic: real time parsing of ORCA optimization
Replies: 5
Views: 41798

Re: real time parsing of ORCA optimization

Is there a way to visualize the coordinates for each step of a geometry optimization? I know that the final converged coordinates for a geometry optimization are displayed and can be used as the basis to start a new job. I am in particular thinking about being able to view each step in the geometry ...