Comments (1)
alongd
commented on May 29, 2024
I think the issue here is that AutoTST isn't configured correctly.
ARC will soon support AutoTST and other TS methods, so I'm OK with this issue for now. If you just tried to run it to see that all examples work, then it's fine. If you really care about H abstraction TS's, then either run AutoTST separately for now (or generate the TS guess using any other method) and feed the guess into ARC, or wait until ARC fully supports TSs and reactions.
from arc.
Related Issues (20)
- Using bruteforce torsional scans blocks up servers storange and queue
- Trsh Orca auxilliary basis demand HOT 1
- Test
- " Q-Chem fatal error occurred in module qparser/new_read_rem.C, line 591:".
- ARCSpecies does not show atom labels for the mol object if it was generated from a `species_dict`
- ValueError in the "coordinates conversions" tutoial HOT 4
- Bad Conformer Id error HOT 1
- ARC's report of currently running jobs
- Implement the HEAT protocol
- ARC didn't find a correct conformer for a singlet carbene species
- rmgdb object does not load families if they are already loaded HOT 2
- Fail to copy reaction
- We should implement the HEAT protocol in ARC HOT 1
- ARC conda environment is too stiff to be created HOT 2
- Unblocking Python 3.11
- Consider implementing MRCC
- Could not determine reaction family for reaction C3H6-2 + O <=> C3H6O HOT 1
- parse_frequencies doesn't parse imaginary frequencies correctly.
- trsh: scan_qualitiy_check
- How to use ARC only on PC without clustering software? HOT 4
Recommend Projects
-
React
A declarative, efficient, and flexible JavaScript library for building user interfaces.
-
Vue.js
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
-
Typescript
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
-
TensorFlow
An Open Source Machine Learning Framework for Everyone
-
Django
The Web framework for perfectionists with deadlines.
-
Laravel
A PHP framework for web artisans
-
D3
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
-
Recommend Topics
-
javascript
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
-
web
Some thing interesting about web. New door for the world.
-
server
A server is a program made to process requests and deliver data to clients.
-
Machine learning
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
-
Visualization
Some thing interesting about visualization, use data art
-
Game
Some thing interesting about game, make everyone happy.
Recommend Org
-
Facebook
We are working to build community through open source technology. NB: members must have two-factor auth.
-
Microsoft
Open source projects and samples from Microsoft.
-
Google
Google ❤️ Open Source for everyone.
-
Alibaba
Alibaba Open Source for everyone
-
D3
Data-Driven Documents codes.
-
Tencent
China tencent open source team.
from arc.