evaleev/libint

Issues

• Error during installation...

  #341 opened 2 months ago by Physfock
  2

• Binary incompatibility between 2.7.2 and 2.9.0 in shared library

  #349 opened 3 months ago by mbanck
  0

• 1 body derivatives issue

  #272 opened 6 months ago by javierdomcal
  2

• Couldn't clone libint repo on Windows

  #343 opened 6 months ago by MehdiChinoune
  1

• can't cross compiling for Android

  #338 opened 8 months ago by leleliu008
  2

• status of ONEBODY_PROPERTY_DERIVS

  #236 opened 3 years ago by loriab
  1

• Update catch.hpp

  #328 opened 10 months ago by hrnagel
  1

• Compact automatic auxiliary basis sets

  #336 opened 10 months ago by susilehtola
  0

• Build Libint2 with angular momentum of 10

  #250 opened 10 months ago by JoshRackers
  3

• copyright year bump to 2024

  #296 opened 10 months ago by evaleev
  1

• 2.8.0 release

  #298 opened 10 months ago by evaleev
  8

• Can't use Boost build using CMake (aka modularized Boost)

  #332 opened 10 months ago by evaleev
  1

• Libint2 library is not soversioned

  #330 opened 10 months ago by susilehtola
  1

• HTML documentation isn't generated

  #301 opened a year ago by susilehtola
  6

• stochastic failures of tests/eri

  #326 opened a year ago by evaleev
  0

• Assertion failure crash while computing 3-center ERI derivatives

  #308 opened a year ago by smparker
  5

• erf-attenuated nuclear integrals

  #323 opened a year ago by philippwo
  2

• `config.{sub,guess}` are out of date

  #321 opened a year ago by evaleev
  1

• make fails if `python` is not found

  #320 opened a year ago by hejamu
  3

• status of compiled c++11 interface

  #239 opened 3 years ago by loriab
  1

• use bzip2 for exported libraries to save space

  #316 opened a year ago by evaleev
  3

• clang-format.sh only works with shells supporting `[[ ]]` conditionals

  #310 opened a year ago by evaleev
  2

• CMake-built shared library is missing SONAME / library versioning

  #229 opened a year ago by mbanck
  2

• Library has no soversion

  #306 opened a year ago by susilehtola
  5

• it straight up doesn't work

  #303 opened a year ago by 33MarGomez
  2

• need to clang-format

  #294 opened a year ago by evaleev
  3

• copyright year bump to 2023

  #295 opened a year ago by evaleev
  0

• Gaussian basis set import does not work for `L>=7`

  #292 opened a year ago by evaleev
  0

• Is there any way to get the principal quantum number of a shell?

  #238 opened a year ago by FreemanTheMaverick
  1

• What is Shell.contr used for?

  #266 opened a year ago by FreemanTheMaverick
  1

• Different contraction coefficients between .gbs and std::cout<<libint2::Shell

  #288 opened a year ago by FreemanTheMaverick
  3

• Diagonal elements of my molecular hessian are incorrect

  #278 opened a year ago by FreemanTheMaverick
  5

• pkgconfig: libint2.7 lacks version information

  #225 opened a year ago by JensWehner
  1

• CMake unconditionally installs libint2.pc into lib/pkgconfig

  #230 opened a year ago by mbanck
  6

• python 3.12

  #274 opened a year ago by loriab
  6

• Problems with `Operator::erf_nuclear`/`Operator::erfc_nuclear`

  #242 opened a year ago by maxscheurer
  11

• Integrals of BF with several primitives seem to evaluate only one

  #267 opened a year ago by HalblauterPC
  3

• Integrals of Gaussian derivatives/ Integral inner derivatives

  #265 opened 2 years ago by HalblauterPC
  0

• Error when compiling with gcc 'undefined reference to `libint2_static_cleanup'

  #264 opened 2 years ago by HalblauterPC
  2

• Build on PPC segfaults

  #260 opened 2 years ago by barracuda156
  0

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

  #252 opened 2 years ago by benczaja
  1

• shell2bf does not work after BasisSet is sorted.

  #245 opened 3 years ago by FreemanTheMaverick
  3

• Fast algorithms for the Boys function

  #244 opened 3 years ago by susilehtola
  0

• Accuracy of FmEval_Taylor

  #241 opened 3 years ago by bingao
  7

• status of g12dkh integrals

  #240 opened 3 years ago by loriab
  0

• data symbols in Windows shared library

  #237 opened 3 years ago by loriab
  0

• libint2 compiler broken on windows

  #235 opened 3 years ago by loriab
  0

• Wrong compiler for fotran_example.F90

  #226 opened 3 years ago by SpinTensor
  2

• Complementary Yukawa kernel

  #228 opened 3 years ago by susilehtola
  0

• Building libint2 on ThunderX2 Arm64

  #227 opened 3 years ago by xiki-tempula
  0