Issues

• Per-call evaluator copy in GenericGmEval::eval limits erf/erfc thread scaling

  evaleev/libint#431 · Filter by author mgoldey opened on Sep 30, 2026

• Engine: geometric derivatives of Operator::opVop crash (buffer overflow) and give wrong values

  evaleev/libint#429 · Filter by author ak-ustutt opened on Sep 28, 2026
  1

  

• Possible out-of-bounds access in bfset.h

  evaleev/libint#428 · Filter by author cgbriggs99 opened on Sep 8, 2026

• Missing done printouts for eri2 and eri3.

  evaleev/libint#427 · Filter by author cgbriggs99 opened on Sep 4, 2026

• LIBINT2_CONTRACTED_INTS=OFF option broken?

  evaleev/libint#425 · Filter by author stanpapa opened on Jul 9, 2026

• Libint dependencies in CMake

  evaleev/libint#411 · Filter by author Growl1234 opened on Apr 18, 2026

• contraction coefficients: converting between normalization-free and normalized primitives

  question
  evaleev/libint#404 · Filter by author evaleev opened on Feb 23, 2026
  5

• 2.13.0: install fails: file COPY_FILE failed to copy /usr/ports/science/libint2/work/libint-2.13.0/export/lib/basis/6-31gs.g94 to /usr/ports/science/libint2/work/.build/libint-2.13.0-post999/lib/basis/6-31gs.g94 because: No such file or directory (output)

  evaleev/libint#393 · Filter by author yurivict opened on Feb 2, 2026
  1

• is it possible to evaluate spherical/cartesian basis function values on grid (for DFT purpose)?

  evaleev/libint#382 · Filter by author lyuhang428 opened on Dec 17, 2025

• Configure variables and preprocessor defines should be project scoped

  evaleev/libint#376 · Filter by author wavefunction91 opened on Sep 15, 2025

• Any suggestion on continuous integration?

  question
  evaleev/libint#370 · Filter by author FreemanTheMaverick opened on Jun 3, 2025
  1

  

• [cmake] need to namespace options

  evaleev/libint#361 · Filter by author evaleev opened on Apr 9, 2025

• Binary incompatibility between 2.7.2 and 2.9.0 in shared library

  evaleev/libint#349 · Filter by author mbanck opened on Sep 23, 2024

• can't cross compiling for Android

  evaleev/libint#338 · Filter by author leleliu008 opened on May 8, 2024
  2

• Compact automatic auxiliary basis sets

  evaleev/libint#336 · Filter by author susilehtola opened on Mar 7, 2024

• HTML documentation isn't generated

  evaleev/libint#301 · Filter by author susilehtola opened on Dec 14, 2023
  6

• Integrals of Gaussian derivatives/ Integral inner derivatives

  evaleev/libint#265 · Filter by author HalblauterPC opened on Jun 20, 2023

• Build on PPC segfaults

  evaleev/libint#260 · Filter by author barracuda156 opened on Jan 22, 2023

• test-permute failure (Libint 2.7.2 with GCC-11.3.0)

  evaleev/libint#252 · Filter by author benczaja opened on Aug 17, 2022
  1

• Fast algorithms for the Boys function

  evaleev/libint#244 · Filter by author susilehtola opened on Mar 30, 2022

• status of g12dkh integrals

  evaleev/libint#240 · Filter by author loriab opened on Feb 17, 2022

• status of compiled c++11 interface

  evaleev/libint#239 · Filter by author loriab opened on Feb 17, 2022
  1

• data symbols in Windows shared library

  evaleev/libint#237 · Filter by author loriab opened on Feb 9, 2022

• status of ONEBODY_PROPERTY_DERIVS

  evaleev/libint#236 · Filter by author loriab opened on Feb 8, 2022
  1

• libint2 compiler broken on windows

  evaleev/libint#235 · Filter by author loriab opened on Feb 4, 2022