diff --git a/CHANGELOG.rst b/CHANGELOG.rst
index 0a27aad..b0d6624 100644
--- a/CHANGELOG.rst
+++ b/CHANGELOG.rst
@@ -5,8 +5,11 @@ Notable changes are logged here by release. This project uses `Semantic
Versioning `__. The changelog format is inspired by
`keep-a-changelog `__.
-`Unreleased `__
+`Unreleased `__
-------------------------------------------------------------------------
+
+`[0.5.0] `__ - 2018-04-22
+-----------------------------------------------------------------------------------
- Resample with interpolation by default; use "spikes" only when requested
`[0.4.0] `__ - 2018-04-17
diff --git a/docs/source/conf.py b/docs/source/conf.py
index c08f9e8..5044a8d 100644
--- a/docs/source/conf.py
+++ b/docs/source/conf.py
@@ -60,9 +60,9 @@
# built documents.
#
# The short X.Y version.
-version = '0.3'
+version = '0.5'
# The full version, including alpha/beta/rc tags.
-release = '0.3.0'
+release = '0.5.0'
# The language for content autogenerated by Sphinx. Refer to documentation
# for a list of supported languages.
@@ -173,6 +173,6 @@ def setup(app):
# dir menu entry, description, category)
texinfo_documents = [
(master_doc, 'Galore', 'Galore Documentation',
- author, 'Galore', 'One line description of project.',
+ author, 'Galore', 'Broadening and weighting for simulated spectra.',
'Miscellaneous'),
]
diff --git a/setup.py b/setup.py
index 90c447a..2ba2abb 100644
--- a/setup.py
+++ b/setup.py
@@ -17,16 +17,18 @@ def unit_tests():
setup(
name='galore',
- version='0.4.1',
- description='Broadening of simulated spectra',
+ version='0.5.0',
+ description='Broadening and weighting for simulated spectra',
long_description="""
- Apply Gaussian and Lorentzian broadening to data from *ab initio*
+ Apply Gaussian and Lorentzian broadening to data from ab initio
calculations. The two main intended applications are
- 1. Application of Lorentzian instrumental broadening to simulated
+ 1. Broadening of electronic density-of-states to simulate photoemission
+ spectroscopy (PES) data. Orbital contributions may also be weighted to
+ account for the frequency-dependent photoionisation cross-section.
+
+ 2. Application of Lorentzian instrumental broadening to simulated
Raman spectra from DFPT calculations.
- 2. Gaussian broadening of electronic density-of-states to simulate XPS
- data, followed by Lorentzian instrumental broadening.
""",
url="https://github.com/SMTG-UCL/galore",
author="Scanlon Materials Theory Group",