Issues

• Conversion of model.json

  lab-cosmo/librascal#433 · Filter by author tavanfran opened on Jan 30, 2024
  2

• get_radial_basis_covariance gives error

  lab-cosmo/librascal#428 · Filter by author tavanfran opened on May 4, 2023
  1

• sanitize_non_periodic_structure does not update the lattice vectors of the cell

  lab-cosmo/librascal#415 · Filter by author bananenpampe opened on Jul 13, 2022

• Dead Kernel when passing an empty array to get_subset function

  bug
  lab-cosmo/librascal#405 · Filter by author hurricane642 opened on Apr 11, 2022
  1

• Enabling > SSE 2 support for default python installation while keeping compatibility with M1

  optimization
  lab-cosmo/librascal#404 · Filter by author agoscinski opened on Apr 6, 2022

• Segmentation fault for length zero frame list

  bug
  lab-cosmo/librascal#400 · Filter by author PicoCentauri opened on Feb 1, 2022

• Segfault with bad values of max_radial/max_angular

  bug
  lab-cosmo/librascal#393 · Filter by author Luthaf opened on Nov 17, 2021
  2

• Segmentation fault in SphericalCovariants for covariant_lambda=0

  bug
  lab-cosmo/librascal#392 · Filter by author bananenpampe opened on Nov 17, 2021
  2

• Computation of kernel between atomic environments takes a long time using rascal.models.kernel

  lab-cosmo/librascal#389 · Filter by author bananenpampe opened on Oct 27, 2021
  7

• get_feature_index_mapping does not support global_species

  bug
  lab-cosmo/librascal#386 · Filter by author Luthaf opened on Oct 11, 2021
  1

• problem installing librascal

  lab-cosmo/librascal#385 · Filter by author bpfrd opened on Oct 9, 2021
  3

• Issues building librascal on Mac M1

  compilation
  lab-cosmo/librascal#383 · Filter by author rosecers opened on Sep 22, 2021
  8

• KE and PE labels in zundel_I-PI.ipynb have been swapped

  lab-cosmo/librascal#380 · Filter by author A-614 opened on Sep 3, 2021

• Tests failure on macOS

  lab-cosmo/librascal#379 · Filter by author Luthaf opened on Sep 3, 2021

• Fails to build with Eigen 3.4

  compilation
  lab-cosmo/librascal#378 · Filter by author Luthaf opened on Sep 3, 2021
  5

• spherical expansion coefficients can be freed after the computation of the spherical invariants

  optimization
  lab-cosmo/librascal#377 · Filter by author agoscinski opened on Sep 3, 2021
  

• Half neighbourlist output wrong

  bug
  lab-cosmo/librascal#374 · Filter by author agoscinski opened on Aug 14, 2021

• sphinx 4.1.0 problems with parsing template keywords

  upstream
  lab-cosmo/librascal#370 · Filter by author agoscinski opened on Jul 14, 2021
  4

• Rascal json encoder

  upstream
  lab-cosmo/librascal#363 · Filter by author agoscinski opened on Jun 15, 2021
  4

  

• Package name rascal is already taken on PyPI :(

  maintenance
  lab-cosmo/librascal#362 · Filter by author max-veit opened on Jun 14, 2021
  11

• Misleading name and documentation for Spherical(In|Co)variants.update_hyperparameters()

  documentationmaintenance
  lab-cosmo/librascal#352 · Filter by author max-veit opened on May 10, 2021
  4

• Non zero gradients when all neighbors are periodic images

  bugdocumentationquestion
  lab-cosmo/librascal#351 · Filter by author Luthaf opened on May 6, 2021
  5

• Pad Representation with zeros for non-present species

  documentationenhancement
  lab-cosmo/librascal#350 · Filter by author rosecers opened on May 6, 2021
  5

  

• ModuleNotFoundError: No module named 'tutorial_utils'

  bugdocumentation
  lab-cosmo/librascal#344 · Filter by author hezhengda opened on Apr 27, 2021
  4

• Add (Num)Pythonic indexing and slicing for AtomsLists

  enhancementlow-priority
  lab-cosmo/librascal#343 · Filter by author max-veit opened on Apr 23, 2021