Comments (2)
I think we should avoid conde repetition. I am not really sure if we need to restructure that much? How about adding "is_cobi", "is_coop" as a flag and then see how this works out?
For the graphs, the fix might include some more if clauses but should also be doable.
With regard to priorities: I think this is something we could do before we submit a paper on lobsterpy itself. I think I will also extend the time frame for this submission (mid 2023)
from lobsterpy.
- Made first changes in pymatgen for this functionality.
Query
- Do we add modules for seperate analysis or just extend the cohp module to handle cobi/coop ?
Extending modules will avoid code repetition as major chunk of code will still be same. Then we would probably need to restructure or rename modules. Let me know your thoughts.
No urgency to respond quickly. Have other things to work on till then
Todo
- Add modules corresponding to coop/cobi analysis and description
from lobsterpy.
Related Issues (20)
- some error HOT 2
- Update readme
- Update workflows HOT 4
- Orbital-resolved automatic analysis
- Orbital resolved data in featurizer
- Cation-anion modus does not work for materials without ions
- Save for automatic plots does not work correctly
- Easy lobsterin generation
- Add more bond options
- Add more flexibility to lobsterin generation
- question HOT 7
- Documentation/Tutorial HOT 2
- Inputs based on POSCAR only
- Inspection for lobsterout
- Add support for compressed files
- Add options for DOSCAR.lobster plotting
- Skip showing of plots in automatic analysis HOT 3
- Featurizer for ML HOT 2
- Test speed-up HOT 1
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 lobsterpy.