mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-10-10 09:51:31 +02:00
Updated release notes
This commit is contained in:
parent
5a47c616c9
commit
08d86379d5
@ -9,15 +9,23 @@
|
||||
- Configure adapted for ARM
|
||||
- Added many types of integrals
|
||||
- Accelerated four-index transformation
|
||||
|
||||
*** TODO: take from dev
|
||||
- [ ] Added GTOs with complex exponent
|
||||
- Updated version of f77-zmq
|
||||
- Added transcorrelated SCF
|
||||
- Added transcorrelated CIPSI
|
||||
- Added CCSD and CCSD(T)
|
||||
- Added MO localization
|
||||
- Changed coupling parameters for ROHF
|
||||
- General Davidson algorithm
|
||||
- Accelerated restore_symmetry
|
||||
- Point charges in the Hamiltonian
|
||||
- Removed cryptokit dependency in OCaml
|
||||
- Using now standard convention in RDM
|
||||
- Added molecular properties
|
||||
- [ ] Added GTOs with complex exponent
|
||||
|
||||
*** TODO: take from dev
|
||||
- Updated version of f77-zmq
|
||||
- Started to introduce shells in AOs
|
||||
- Added ECMD UEG functional
|
||||
- General Davidson algorithm
|
||||
|
||||
* Version 2.2
|
||||
|
||||
|
Loading…
Reference in New Issue
Block a user