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Anthony Scemama 2021-12-08 01:57:16 +01:00
parent 41f9c8ea6b
commit f1b8d55474
1 changed files with 2 additions and 1 deletions
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@ -31,6 +31,7 @@
- Fixed bug in molden (Au -> Angs) - Fixed bug in molden (Au -> Angs)
- Fixed bug with non-contiguous MOs in active space and deleter MOs - Fixed bug with non-contiguous MOs in active space and deleter MOs
- Complete network-free installation - Complete network-free installation
- Fixed bug in selection when computing full PT2
*** User interface *** User interface
@ -86,7 +87,7 @@
- Using Intel IPP for sorting when using Intel compiler - Using Intel IPP for sorting when using Intel compiler
- Removed parallelism in sorting - Removed parallelism in sorting
- Compute banned_excitations from exchange integrals to accelerate with local MOs - Compute banned_excitations from exchange integrals to accelerate with local MOs