Issues

• The test executable .build/apps/tests/test_examples throws an exception that isn't caught

  electronic-structure/SIRIUS#1103 · Filter by author yurivict opened on Nov 6, 2025

• Issue with sirius_set_atom_type_hubbard() API function

  bug
  electronic-structure/SIRIUS#1047 · Filter by author toxa81 opened on Jan 15, 2025
  2

  

• Build Failure with intel-oneapi-compilers using spack

  electronic-structure/SIRIUS#1045 · Filter by author vijaymocherla opened on Jan 12, 2025
  12

• Is it possible to calculate dense of state by using cp2k+sirius

  electronic-structure/SIRIUS#994 · Filter by author LM99v opened on May 13, 2024
  1

• SIRIUS timers and roctrace

  electronic-structure/SIRIUS#961 · Filter by author gsavva opened on Feb 12, 2024
  1

• mpi_grid_dims seems to be ignored

  electronic-structure/SIRIUS#935 · Filter by author gsavva opened on Dec 6, 2023

• libxc mGGA functionals are silently skipped

  electronic-structure/SIRIUS#914 · Filter by author simonpintarelli opened on Nov 6, 2023

• Python executable in installed files should be supplied by the caller

  electronic-structure/SIRIUS#758 · Filter by author yurivict opened on Aug 26, 2022
  2

  

• how to use LDA+U in cp2k with sirius

  electronic-structure/SIRIUS#744 · Filter by author GengSS opened on Jul 4, 2022
  5

• Insufficient workspace with scalapack

  electronic-structure/SIRIUS#705 · Filter by author dev-zero opened on Dec 16, 2021

• GPU calls in CPU mode

  electronic-structure/SIRIUS#533 · Filter by author haampie opened on Aug 20, 2020
  4

• keep master branch only

  electronic-structure/SIRIUS#464 · Filter by author toxa81 opened on Jan 22, 2020
  7