acesuit Goto Github PK
Type: Organization
acesuit's Projects
.github
ace.cpp
Experimental C++ routines for the ACE basis
ace.jl
Parameterisation of Equivariant Properties of Particle Systems
ace1.jl
Atomic Cluster Expansion for Modelling Invariant Atomic Properties
ace1pack.jl
A complete pack of cards, all aces
ace1x.jl
Experimental features for ACE1.jl
aceatoms.jl
Generic code for modelling atomic properties using ACE
acebase.jl
Shared definitions for ACEsuit packages
acebonds.jl
Extension of ACE.jl to Atomic Bond Environments
acecalculator.jl
Evaluate ACE interatomic potentials and interfaces
acecore.jl
Some of the core computational kernels for building ACE models
acedata
acedocs_old
Documentaton for ACEsuit
aceds.jl
Coarse-grained dynamical systems
aceexamples
Some examples of ACE usage that go beyond basic documentation.
aceexperimental.jl
Experimental ACE.jl codes
acefit.jl
Generic Codes for Fitting ACE models
aceflux.jl
acehal
acehamiltonians.jl
acehamiltonians_data
acehamiltoniansexamples
Example code for the ACEhamiltonians code-base.
aceinterfaces
aceluxpots.jl
ACE potentials via EquivariantModels and Lux
acemd.jl
acepotentials.jl
Machine Learning Interatomic Potentials with the Atomic Cluster Expansion
acepsi.jl
ACE wave function parameterizations
aceregistry
Our registry for ACE Julia packages under development
acesktb.jl
experimental code for tight-binding hamiltonians
acesuit.github.io
Website and docs
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