Version 2.1.2

Include EZFIO.tar.gz: avoids to download it.

Version 2.1.1

Bug fixes

Version 2.1

• Bug fixes
• CAS-SCF
• Optimized selection for excited states
• SCAN functional
• qp_tunnel for connecting through gateways
• Requires EZFIO >= 1.6.1
• Renamed disk_access_nuclear_repulsion
• Improved scaling of pt2
• Optimized qp_edit -n
• qp_edit always displays the 1st 10 000 determinants
• Updated 6-31g

Quantum Package 2.0, first release

Version corresponding to :

@article{doi:10.1021/acs.jctc.9b00176,
  author = {Garniron, Yann and Applencourt, Thomas and Gasperich, Kevin and Benali, Anouar and Ferté, Anthony and Paquier, Julien and Pradines, Barthélémy and Assaraf, Roland and Reinhardt, Peter and Toulouse, Julien and Barbaresco, Pierrette and Renon, Nicolas and David, Grégoire and Malrieu, Jean-Paul and Véril, Mickaël and Caffarel, Michel and Loos, Pierre-François and Giner, Emmanuel and Scemama, Anthony},
  title = {Quantum Package 2.0: An Open-Source Determinant-Driven Suite of Programs},
  journal = {Journal of Chemical Theory and Computation},
  volume = {15},
  number = {6},
  pages = {3591-3609},
  year = {2019},
  doi = {10.1021/acs.jctc.9b00176},
  note ={PMID: 31082265},
  URL = { https://doi.org/10.1021/acs.jctc.9b00176 },
  eprint = { https://doi.org/10.1021/acs.jctc.9b00176 }
}

Quantum Package 2.0.0

Release corresponding to the paper:
https://arxiv.org/abs/1902.08154