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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-05-29 16:55:18 +02:00

RELEASE_NOTES.org

This commit is contained in:
Anthony Scemama 2023-07-05 09:09:12 +02:00
parent 487e85c6ae
commit 9293f360d5

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@ -10,7 +10,8 @@
- Added many types of integrals
- Accelerated four-index transformation
- Added transcorrelated SCF
- Added transcorrelated CIPSI
- Added bi-orthonormal transcorrelated CIPSI
- Added Cholesky decomposition of AO integrals
- Added CCSD and CCSD(T)
- Added MO localization
- Changed coupling parameters for ROHF
@ -20,7 +21,7 @@
- Removed cryptokit dependency in OCaml
- Using now standard convention in RDM
- Added molecular properties
- [ ] Added GTOs with complex exponent
- Added GTOs with complex exponent
*** TODO: take from dev
- Updated version of f77-zmq