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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-10 05:33:30 +01:00
This commit is contained in:
Anthony Scemama 2021-12-08 01:57:16 +01:00
parent 41f9c8ea6b
commit f1b8d55474

View File

@ -31,6 +31,7 @@
- Fixed bug in molden (Au -> Angs)
- Fixed bug with non-contiguous MOs in active space and deleter MOs
- Complete network-free installation
- Fixed bug in selection when computing full PT2
*** User interface
@ -86,7 +87,7 @@
- Using Intel IPP for sorting when using Intel compiler
- Removed parallelism in sorting
- Compute banned_excitations from exchange integrals to accelerate with local MOs