ACEsuit/ACE1.jl

Issues

• Site descriptors for a subset of atoms

  #80 opened a year ago by siasolt
  2

• Gradients with splines bug

  #77 opened 2 years ago by cortner
  1

• ACE1.Export not defined

  #75 opened 2 years ago by joannajzou
  3

• Making the most of sparsification

  #55 opened 2 years ago by wcwitt
  2

• Update to new AtomsBase compliant JuLIP and tag new version

  #70 opened 2 years ago by tjjarvinen
  1

• NaN problem

  #68 opened 2 years ago by casv2
  5

• Forward-Port Inverse MultiTransform to 0.11

  #67 opened 2 years ago by cortner
  0

• Need interface for `SparsePSHDegreeM`

  #61 opened 2 years ago by cortner
  2

• Generalized Agnesi Transform

  #64 opened 2 years ago by cortner
  1

• Compatibility

  #50 opened 2 years ago by cortner
  1

• Export multi-transform to ace-evaluator

  #22 opened 3 years ago by cortner
  10

• load_potential needs to look in "IP" component of top level dict

  #49 opened 2 years ago by bernstei
  2

• Cleanup

  #60 opened 2 years ago by cortner
  5

• Symmetry Reductions to Accelerate Evaluation

  #59 opened 2 years ago by cortner
  0

• trACE in ACE1?

  #56 opened 2 years ago by wcwitt
  8

• Real spherical harmonics

  #54 opened 2 years ago by wcwitt
  2

• Strange Type Instability and Allocation In Committee Evaluators

  #57 opened 2 years ago by cortner
  0

• Slow `co_forces`

  #52 opened 2 years ago by wcwitt
  3

• 0.9.3 breaking change?

  #45 opened 2 years ago by wcwitt
  5

• Create committee from IPSuperBasis

  #46 opened 2 years ago by wcwitt
  3

• Obtain matrix of descriptor derivatives w.r.t. atomic coordinates

  #47 opened 2 years ago by VladCarare
  1

• Committee for pair potential

  #42 opened 2 years ago by casv2
  10

• Version Bounds

  #9 opened 3 years ago by cortner
  1

• Save Potential with test set

  #1 opened 3 years ago by cortner
  0

• test_compat Tests are failing

  #4 opened 3 years ago by cortner
  0

• Performance Regression Tests

  #5 opened 3 years ago by cortner
  0

• Change of ACE1.jl History

  #39 opened 2 years ago by cortner
  6

• Backpropagation for Committees

  #41 opened 2 years ago by cortner
  0

• Support committee models

  #18 opened 2 years ago by davkovacs
  32

• Incompatible File Formats

  #38 opened 2 years ago by cortner
  2

• `create_artifacts.jl` doesn't work as it should?

  #29 opened 2 years ago by gelzinyte
  5

• Cannot Export yace file.

  #36 opened 3 years ago by iamusen
  11

• Installation issue with IPFitting

  #33 opened 3 years ago by braxtonowens
  7

• exporting and converting between formats

  #21 opened 3 years ago by bernstei
  3

• Embeddings

  #30 opened 3 years ago by cortner
  0

• IPFitting vs ACEfit

  #8 opened 3 years ago by cortner
  2

• ACE performance on Si DFT data

  #24 opened 3 years ago by exapde
  2

• more transparent name for function that reads potential from dict

  #12 opened 3 years ago by bernstei
  1

• -false_alarm-

  #19 opened 3 years ago by casv2
  0

• Rename SparsePSHDegree = SparseDegree

  #11 opened 3 years ago by cortner
  0

• PyCall and SymPy

  #3 opened 3 years ago by cortner
  0

• Problem with pair_basis when rin=0

  #13 opened 3 years ago by wcwitt
  4

• Introduce Tests for the Multi-Transform

  #6 opened 3 years ago by cortner
  5

• top level README.md documentation link broken

  #10 opened 3 years ago by bernstei
  2

• Basis sparsification

  #2 opened 3 years ago by cortner
  3

• Basis Backward Compatibility

  #7 opened 3 years ago by cortner
  0