acesuit Goto Github PK
Type: Organization
Type: Organization
Experimental C++ routines for the ACE basis
Parameterisation of Equivariant Properties of Particle Systems
Atomic Cluster Expansion for Modelling Invariant Atomic Properties
A complete pack of cards, all aces
Experimental features for ACE1.jl
Generic code for modelling atomic properties using ACE
Shared definitions for ACEsuit packages
Extension of ACE.jl to Atomic Bond Environments
Evaluate ACE interatomic potentials and interfaces
Some of the core computational kernels for building ACE models
Documentaton for ACEsuit
Coarse-grained dynamical systems
Some examples of ACE usage that go beyond basic documentation.
Experimental ACE.jl codes
Generic Codes for Fitting ACE models
Example code for the ACEhamiltonians code-base.
ACE potentials via EquivariantModels and Lux
Machine Learning Interatomic Potentials with the Atomic Cluster Expansion
ACE wave function parameterizations
Our registry for ACE Julia packages under development
experimental code for tight-binding hamiltonians
Website and docs
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