Comments (2)
JiQi535
commented on June 13, 2024
@funihang Would you use older versions of pymatgen, i.e., earlier than to overcome this issue? The _pbc attribute is added into Lattice from version 2022.7.8. Any earlier versions of pymatgen will work, for example, v2022.5.26. The exact reason of the issue is discussed in this post.
from m3gnet.
funihang
commented on June 13, 2024
I try v2022.5.26, and it works. Thank you so much.
from m3gnet.
Related Issues (20)
- Transfer learning with m3gnet
- m3gnet for 1 or 2 atoms ValueError with tensorflow==2.10.0 HOT 4
- Only isolated atom calculation is difficult for m3gnet? HOT 1
- Get energy above hull through the m3gnet model HOT 1
- segmentation issue with energy calculation for some structures HOT 3
- Feature request: relaxation under pressure
- Python 3.11 HOT 6
- Error in loss function during training HOT 1
- Inconsistent results when predicting on batches with GPU HOT 1
- a suggestion to change predict_structure function name of m3gNet to predict_energy HOT 1
- fix atoms during MD/relax HOT 2
- Derivatives of forces are NaN when there's a right angle in a structure
- is this model can use multi cpu for relaxing?
- Reproduce IAP training results
- M3GNet will crash if it meets some materials in Material project, here are the mp-ids, any hint to fix them? HOT 3
- Potential fails to predict structure without threebody interaction in threebody cutoff of 4 Å HOT 5
- Model restored from checkpoint predicts wrong energies
- Recovering MatBench results from weights for submission
- Validation Structures of None results in termination for PotentialTrainer
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 m3gnet.