LCPQ
/
qp2
mirror of https://github.com/QuantumPackage/qp2.git
9
1
Fork 0
Code Releases Activity

Notes

This commit is contained in:
Anthony Scemama 2021-12-08 01:57:16 +01:00
parent 41f9c8ea6b
commit f1b8d55474
1 changed files with 2 additions and 1 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

3
RELEASE_NOTES.org
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