Publishing details
-
Removed from disk
.
-
Removal requested
.
-
Superseded
by psi4 - 1:1.1-5
-
Published
-
Copied from
debian sid in
Primary Archive for Debian GNU/Linux
Changelog
psi4 (1:1.0-1) unstable; urgency=medium
* New upstream stable release. Changes since beta5 include:
+ CASSCF and DF-CASSCF energies.
+ DF-CCSD gradients
+ DF/CD-orbital optimized MP2
+ X2C scalar relativistic corrections
* debian/patches/psi4rc-changes.patch: Removed, no longer needed.
* debian/patches/chemps_1_7_support.patch: Likewise.
* debian/patches/relax_dmrg_caspt2_test.patch: Refreshed.
* debian/patches/default_data_directory.patch: Likewise.
-- Michael Banck <email address hidden> Fri, 23 Sep 2016 22:02:40 +0200
Builds
Package files