Issues
- 0
CICD Failing on Ray install
#127 opened - 0
- 0
Useful Notebooks
#118 opened - 1
Clean Up SCF
#117 opened - 0
Manual Input for active space reduction
#115 opened - 0
Quantum Information informed active space
#112 opened - 3
Bump to 0.0.2
#108 opened - 1
- 3
Virtual Orbital Localization
#104 opened - 0
Qubit reduction using point group symmetry
#103 opened - 0
Project description on PyPi
#101 opened - 2
Pull in Symmer functionality
#97 opened - 1
- 4
Open Shells
#90 opened - 1
Init local RHF reversion
#85 opened - 1
Changelog
#84 opened - 0
- 0
Add CFF file for easy citation
#79 opened - 1
update print summary
#77 opened - 0
Update `notebooks/3. embed`
#71 opened - 0
Add .vscode to .gitignore
#69 opened - 3
Draw molecule input formatting
#68 opened - 1
Tapering doesn't work right
#67 opened - 0
- 0
Basic active space reduction
#64 opened - 2
- 1
- 0
- 0
Minimal active system crashes spade
#58 opened - 1
Active atoms = 0 or all
#56 opened - 1
- 1
- 0
Log initialisation crashes on QLM
#52 opened - 1
- 1
Reduce CI/CD time
#49 opened - 1
Tests
#47 opened - 0
Update docs
#46 opened - 2
Clean up variable names
#45 opened - 1
Include tapering for the hamiltonian
#43 opened - 1
Sphinx documentation
#40 opened - 2
Set up to get results.
#38 opened - 2
- 1
Re-enable CICD for pull requests
#36 opened - 3
Start writing DFT in DFT functions
#30 opened - 0
Allow mix and match config or cli input
#27 opened - 0
Writing Localization Functions
#26 opened - 1
Save the output
#24 opened - 1
Change name of Repo
#23 opened - 0
Alternative Qubit Hamiltonian Outputs
#22 opened - 0