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chemfrag all-to-all connectivity test fails

bugSomething isn't workingSomething isn't working

Status: Open.

#258 In troyvvgroup/quemb;

· mscho527 opened on Jan 26, 2026

Print cpp logging to std::err

good first issueGood for newcomersGood for newcomers

maintenancethings that should make our life easier in the futurethings that should make our life easier in the future

Status: Open.

Task

#251 In troyvvgroup/quemb;

· mcocdawc opened on Dec 1, 2025

Clean up logic for rdm1_fullbasis

Status: Open.

#246 In troyvvgroup/quemb;

· mscho527 opened on Nov 18, 2025

Potential bug with initial Jacobian routine

bugSomething isn't workingSomething isn't working

Status: Open.

#243 In troyvvgroup/quemb;

· mscho527 opened on Nov 13, 2025

mypy errors for graphfrag.py

maintenancethings that should make our life easier in the futurethings that should make our life easier in the future

Status: Open.

#208 In troyvvgroup/quemb;

· mscho527 opened on Aug 19, 2025

Read mean field objects in test suite

good first issueGood for newcomersGood for newcomers

maintenancethings that should make our life easier in the futurethings that should make our life easier in the future

Status: Open.

#194 In troyvvgroup/quemb;

· mcocdawc opened on Aug 4, 2025

Move chemfrag.py to shared

maintenancethings that should make our life easier in the futurethings that should make our life easier in the future

Status: Open.

#188 In troyvvgroup/quemb;

· mscho527 opened on Jul 29, 2025

Modernize to >C++20 and get rid of workarounds

low priorityadd to low priority issuesadd to low priority issues

maintenancethings that should make our life easier in the futurethings that should make our life easier in the future

Status: Open.

#172 In troyvvgroup/quemb;

· mcocdawc opened on Jul 1, 2025

New steps for faster integral transformation

enhancementNew feature or requestNew feature or request

Status: Open.

#171 In troyvvgroup/quemb;

· mcocdawc opened on Jul 1, 2025

Update references

documentationImprovements or additions to documentationImprovements or additions to documentation

Status: Open.

#160 In troyvvgroup/quemb;

· mcocdawc opened on Apr 30, 2025

·  

v0.2

documentation of kbe pfrag

documentationImprovements or additions to documentationImprovements or additions to documentation

low priorityadd to low priority issuesadd to low priority issues

Status: Open.

#159 In troyvvgroup/quemb;

· mcocdawc opened on Apr 30, 2025

UBE for mismatched number of alpha and beta orbitals

bugSomething isn't workingSomething isn't working

Status: Open.

#157 In troyvvgroup/quemb;

· lweisburn opened on Apr 24, 2025