Comments (1)
Fixed. It was only printing absolute thermochemistry if there were multiple conformers.
Also cleaned up and simplified the printed tables of thermochemical data.
from aaron.
Related Issues (20)
- substitute
- dihedral
- RMSD_align
- mirror
- genshift
- genrotate
- rotate
- Using Pod Usage for AARON input HOT 1
- Geometry::substitute cannot call new AaronTools::Substituent HOT 3
- Geometry::_rearrange_con_sub() undefined HOT 1
- RMSD align breaks when aligning larger molecule to smaller molecule HOT 1
- cat_screen input problem HOT 2
- Printing of com file names when initializing HOT 1
- Repeated status printing HOT 1
- print_SI HOT 2
- com files written to wrong directory HOT 3
- Aaron finishes but still says there are jobs awaiting other jobs
- Making substitutions while using input_conformers_only flag HOT 1
- how to implement TZV(2d, 2p) basis in Gaussian 09 HOT 2
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 aaron.