Comments (1)
Hi @duneandre ,
Thanks for your interest in our code!
It does not seem like this would be a straightforward change, and it would also require giving careful thought to how you train the model. It may be possible to adapt pair_nequip
to this purpose by somehow filtering the neighborlist before it is passed to the model, but this is not a supported usecase at this time.
from pair_nequip.
Related Issues (20)
- Compilation error HOT 2
- error: use of undeclared identifier 'assert' when compiling LAMMPS HOT 4
- Error in running lammps with pair-nequip HOT 2
- lammps installation (intel error) HOT 2
- Lammps failed with c10::error HOT 1
- LAMMPS Terminate with Torch error HOT 19
- Error when link Lammps to python after Nequip complied HOT 1
- Segmentation fault (core dumped): Error when running lammps HOT 4
- Patch script does not work with BSD sed
- Installation error HOT 2
- 🐛 [BUG] Segmentation fault (core dumped) when running on large systems on LAMMPS HOT 1
- Compatibility with LAMMPS after 2Jun2022 HOT 7
- Build LAMMPS with some error HOT 2
- LAMMPS crashing HOT 1
- Installation issue HOT 1
- symbol lookup error: libtorch_cpu.so HOT 4
- Issue with nequip's LAMMPS plugin cutoff parameter HOT 2
- lmp run error: what(): expected scalar type Float but found Double HOT 2
- [BUG] Error during the minimalisation in LAMPS using pair_nequip 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 pair_nequip.