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ACEsuit
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ACE.jl
Parameterisation of Equivariant Properties of Particle Systems
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Package dependencies are currently not consistent
#149
TSGut
opened
7 months ago
2
Bug fix for category sparse basis
#147
MatthiasSachs
closed
1 year ago
2
Ms/symmetric euclidean matrices
#146
MatthiasSachs
closed
1 year ago
1
Ms/symmetric euclidean matrices
#145
MatthiasSachs
closed
1 year ago
3
Fix for LinearACEModel with mutiple EuclideanVector or EuclideanMatrix properties
#144
MatthiasSachs
closed
1 year ago
2
Ms/gneralized euclidean matrices2
#143
MatthiasSachs
closed
1 year ago
1
Ms/generalized euclidean matrices
#142
MatthiasSachs
closed
1 year ago
2
Nquad in discrete_jacobi
#141
cortner
opened
1 year ago
0
basis functions are not consistent with different MaxDeg
#140
hjchen1983
closed
1 year ago
7
WIP : MS Zygote Bug
#139
cortner
opened
2 years ago
1
Some potentially useful functions
#138
zhanglw0521
opened
2 years ago
1
A minor issue on `ACE.SphericalHarmonics:cart2spher`
#137
zhanglw0521
opened
2 years ago
0
Additional symmetries for matrix-valued ACE bases
#136
MatthiasSachs
opened
2 years ago
2
Fixing FIO for Lambdas
#135
cortner
closed
2 years ago
0
Remove valtype and gradtype
#134
cortner
closed
2 years ago
1
Bonds-1
#133
cortner
closed
2 years ago
0
Trig Basis
#132
cortner
closed
2 years ago
0
Basis Generation Bottleneck
#131
cortner
opened
2 years ago
0
Basis Sizes are Very Different in v0.12.33 and v0.12.34
#130
cortner
opened
2 years ago
0
Spherical Tensors Fail in v0.12.33
#129
cortner
opened
2 years ago
1
Taking Chainrules Seriously - Part 1
#128
cortner
closed
2 years ago
0
ObjectPools for B1pComponent
#127
cortner
opened
2 years ago
0
Move Bonds Code into ACEbonds + Some Cleanup
#126
cortner
closed
2 years ago
0
WIP : Remove Bonds, More Cleanup
#125
cortner
closed
2 years ago
1
WIP: Separate transforms from basis
#124
cortner
closed
2 years ago
2
Reorganize Euclidean Tensors
#123
cortner
opened
2 years ago
3
`create_artifacts.jl` doesn't work as it should?
#122
gelzinyte
closed
2 years ago
1
Move Bonds out of ACE.jl
#121
cortner
closed
2 years ago
11
WIP: Rewrite 1p Basis
#120
cortner
closed
2 years ago
2
WIP: Retire Rn1pBasis and Scal1pBasis -> XScal1pBasis
#119
cortner
closed
2 years ago
1
Bug / instability of inner cutoff
#118
davkovacs
opened
2 years ago
5
First version for an intersection feature for DownsetBasisSelectors
#117
MatthiasSachs
opened
2 years ago
1
Rewrite ACE.jl as a Graph
#116
cortner
opened
2 years ago
1
Problem with LinearMaps
#115
davkovacs
closed
2 years ago
5
Retire Rn1pBasis and Scal1pBasis
#114
cortner
closed
2 years ago
4
Species-dependent radial basis
#113
cortner
opened
2 years ago
0
How to GROW the Basis
#112
cortner
opened
2 years ago
0
Flexible Degree for Polynomial Basis
#111
cortner
closed
2 years ago
1
WIP: Adaptive Scalar Basis such as Ranl
#110
cortner
closed
2 years ago
16
Rotation-equivariance properties in bulk configuration
#109
MatthiasSachs
closed
2 years ago
0
Per-atom descriptors
#108
exapde
closed
2 years ago
10
Sparsify AA basis
#107
cortner
closed
2 years ago
0
Labels for 1p Basis Components
#106
cortner
closed
2 years ago
1
Bugfix for #103
#105
cortner
closed
2 years ago
1
Weird issues with EuclideanMatrix property
#104
MatthiasSachs
opened
2 years ago
3
SparseBasis basis selector bug?
#103
davkovacs
closed
2 years ago
13
yace format cannot be read by python
#102
bernstei
closed
2 years ago
15
Derivatives for `EuclideanMatrix`
#101
MatthiasSachs
opened
2 years ago
1
Correct implementation of `filter` and `coco_init` for types `EuclideanVector` and `EuclideanMatrix`
#100
MatthiasSachs
opened
2 years ago
3
Ms/equivarinat matrices
#99
MatthiasSachs
closed
2 years ago
23
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