Release 2.9

Author: sunqm

CHANGELOG

@@ -1,3 +1,24 @@
+PySCF 2.9.0 (2025-04-11)
+------------------------
+* Added
+  - Analytical PCM Hessian
+  - Density fitting UCCSD
+* Improved
+  - Assign default auxiliary basis for def2-mtzvp and def2-mtzvpp
+  - Better initial guess for smearing
+  - libxc interface for passing omega in composite functionals
+  - The tolerance in geometry when identifying point group symmetry
+  - Adjust PBC GDF eigenvalue decomposition accuracy
+  - Special treatment in PBC GDF for dimension=0 systems
+* Fixes
+  - Dimension bug in spinor X2C code
+  - C-PCM and SS(V)PE gradients
+  - Complex density matrices for DFHF
+  - Fixes COSMO-RS functionality
+  - DF auxiliary basis assignment for ghost atoms
+  - Lattice sum range issue for low-dimensional systems
+
+
 PySCF 2.8.0 (2025-01-14)
 ------------------------
 * Added

NOTICE

@@ -123,6 +123,8 @@ Sebastian Ehlert
 Thijs Vogels
 Andrew Jenkins
 Al Nejati
+Oskar Weser
+Henry Wang (ByteDance Ltd.)
 
 
 ---

README.md

@@ -9,7 +9,7 @@ Python-based Simulations of Chemistry Framework
 
 2025-01-14
 
-* [Stable release 2.8.0](https://github.com/pyscf/pyscf/releases/tag/v2.8.0)
+* [Stable release 2.9.0](https://github.com/pyscf/pyscf/releases/tag/v2.9.0)
 * [Changelog](../master/CHANGELOG)
 * [Documentation](http://www.pyscf.org)
 * [Installation](#installation)

pyscf/__init__.py

@@ -35,7 +35,7 @@
 
 '''
 
-__version__ = '2.8.0'
+__version__ = '2.9.0'
 
 import os
 import sys