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Github actions fails to build at PR

bugSomething isn't working (as expected)Something isn't working (as expected)

Status: Open.

#1094 In GQCG/GQCP;

· ThiboVE opened on Oct 15, 2025

Complex Boys function does not work for large internuclear distances in H2

bugSomething isn't working (as expected)Something isn't working (as expected)

C++Related to the C++ libraryRelated to the C++ library

Status: Open.

#1092 In GQCG/GQCP;

· ThiboVE opened on Oct 13, 2025

GQCC github actions build fails due to bad credentials

bugSomething isn't working (as expected)Something isn't working (as expected)

Status: Open.

#1086 In GQCG/GQCP;

· emielvb opened on Apr 22, 2025

Current density operator only works in non-London GTO basis

C++Related to the C++ libraryRelated to the C++ library

novelA novel feature addition to the projectA novel feature addition to the project

Status: Open.

Feature

#1084 In GQCG/GQCP;

· emielvb opened on Apr 18, 2025

How to print CoulombRepulsionOperator() for UHF

bugSomething isn't working (as expected)Something isn't working (as expected)

Status: Open.

#1075 In GQCG/GQCP;

· Physfock opened on Aug 3, 2024

Fock matrix for large basis sets

bugSomething isn't working (as expected)Something isn't working (as expected)

Status: Open.

#1074 In GQCG/GQCP;

· Physfock opened on Jul 22, 2024

Error with large basis sets

bugSomething isn't working (as expected)Something isn't working (as expected)

Status: Open.

#1072 In GQCG/GQCP;

· Physfock opened on Jul 16, 2024

Double check complex transition 2DM

bugSomething isn't working (as expected)Something isn't working (as expected)

C++Related to the C++ libraryRelated to the C++ library

Status: Open.

#1068 In GQCG/GQCP;

· xdvriend opened on Dec 12, 2023

Reporting a vulnerability

Status: Open.

#1047 In GQCG/GQCP;

· igibek opened on Apr 10, 2023

Upgrade libint to 2.7.2

devopsRelated to 'meta' development, i.e. installing, running, CI/CD, ...Related to 'meta' development, i.e. installing, running, CI/CD, ...

refactorRelated to rewriting a portion of the projectRelated to rewriting a portion of the project

Status: Open.

#1045 In GQCG/GQCP;

· dariavh opened on Mar 31, 2023

Docker build hanging

bugSomething isn't working (as expected)Something isn't working (as expected)

Status: Open.

#1043 In GQCG/GQCP;

· dariavh opened on Mar 29, 2023

Overlap matrix for CC-PVDZ does not look correct

bugSomething isn't working (as expected)Something isn't working (as expected)

Status: Open.

#1034 In GQCG/GQCP;

· xdvriend opened on Sep 16, 2022