Issues

• Ladder fit silently keeps the initial potential's rcut and ignores bonds::rcut from input.yaml

  ICAMS/python-ace#105 · Filter by author yury-lysogorskiy opened on Aug 27, 2026

• Preparedata.py dividing w_forces_column with float error and contradiction with custom weights notebook

  ICAMS/python-ace#98 · Filter by author Nick19-bot opened on Nov 26, 2025

• Inconsistent force predictions between tensorpot and pyace backends

  ICAMS/python-ace#97 · Filter by author Alexandrina-Chen opened on Oct 28, 2025

• Fitting process ending prematurely due to precision loss

  ICAMS/python-ace#96 · Filter by author Nick19-bot opened on Oct 28, 2025

• input file documentation

  ICAMS/python-ace#94 · Filter by author lancejnelson opened on Sep 3, 2025

• pkg_resources deprecation

  ICAMS/python-ace#93 · Filter by author lancejnelson opened on Sep 3, 2025

• Problem in pacemaker installation

  ICAMS/python-ace#91 · Filter by author rajorshichat opened on Aug 26, 2025

• Train on Stress/Virials in ACE

  ICAMS/python-ace#90 · Filter by author nicdieugenio opened on Jul 25, 2025

• ACE Training on AMD GPU

  ICAMS/python-ace#88 · Filter by author nicdieugenio opened on Jul 8, 2025
  5

• pacemaker crashes when early stopping and maximum iterations flags are raised at the same time

  ICAMS/python-ace#86 · Filter by author HaithamGaafer opened on Feb 13, 2025

• unhashable type: 'list'

  ICAMS/python-ace#84 · Filter by author Snehal-V2 opened on Dec 30, 2024
  2

• Optimization result

  ICAMS/python-ace#83 · Filter by author ZhunyunTang opened on Dec 7, 2024
  3

• maxvolpy dependency missing

  ICAMS/python-ace#78 · Filter by author pmrv opened on Oct 8, 2024

• Performance of the package

  ICAMS/python-ace#77 · Filter by author mingwang-zhong opened on Sep 11, 2024
  13

• Unphysical result in MD using trained ACE potential

  ICAMS/python-ace#76 · Filter by author WJiangH opened on Sep 4, 2024
  1

• Improving the GPU usage efficiency during training

  ICAMS/python-ace#75 · Filter by author WJiangH opened on Aug 28, 2024
  3

• Unphysical LAMMPS results using the trained Al potential

  ICAMS/python-ace#73 · Filter by author mingwang-zhong opened on Aug 13, 2024
  6

• Active learning with unparametrized ACE potential

  ICAMS/python-ace#72 · Filter by author siamak-attarian opened on Aug 6, 2024
  2

• Error when using trf/lm/dogbox optimizer

  ICAMS/python-ace#69 · Filter by author gooaah opened on Jul 11, 2024
  1

• magnetic ace

  ICAMS/python-ace#68 · Filter by author JonathanSchmidt1 opened on Jun 6, 2024

• Many-body heat flux correction

  ICAMS/python-ace#67 · Filter by author rfhari opened on Jun 2, 2024
  2

• New version on pip?

  ICAMS/python-ace#66 · Filter by author pmrv opened on Apr 18, 2024

• Empty radcoefficients list when initializing only first order terms

  ICAMS/python-ace#65 · Filter by author doubleyou001 opened on Mar 14, 2024

• Minimum GCC/G++ version?

  ICAMS/python-ace#64 · Filter by author mikejwaters opened on Feb 9, 2024

• Suggestions for interfacing with RMC

  ICAMS/python-ace#58 · Filter by author mikejwaters opened on Oct 3, 2023
  4