REL: Prepare for the Nano-QMFlows 0.13.3 release

CHANGELOG.md

@@ -1,6 +1,6 @@
 # Change Log
 
-# 0.13.3 (*unreleased*)
+# 0.13.3 (02/06/2022)
 
 ## New
 * Replace `pybind11` as a build dependency with `numpy`.
@@ -9,6 +9,12 @@
 ## Changed
 * Remove `cython` leftovers.
 * Add minimum versions to most dependencies.
+* Always compile with C++11 as we don't use any newer features.
+* Bump the minimum qmflows version to >= 1.12.1.
+* Increase the SCF convergence in the (non-guess) templates from 5e-04 to 1e-06.
+
+## Fixed
+* Fix the ill-defined active space for unrestricted calculations.
 
 
 # 0.13.2 (26/04/2022)

CITATION.cff

@@ -17,8 +17,8 @@ keywords:
  - materials-science
  - python
  - Workflows
-version: '0.13.2'
-date-released: "2022-04-26"
+version: '0.13.3'
+date-released: "2022-06-02"
 repository-code: https://github.com/SCM-NV/nano-qmflows
 license: "Apache-2.0"
 doi: 10.5281/zenodo.2576893

nanoqm/_version.py

@@ -1,3 +1,3 @@
 """The Nano-QMFlows version."""
 
-__version__ = '0.13.3.dev0'
+__version__ = '0.13.3'