v0.9.8 (#101)

- Improvements to PDIS functionality (#94).

  - Rasterized scatter points for more efficient exporting and fewer graphical artifacts
  - Made underlying :func:`matador.plotting.spectral_plotting.dos_plot` and :func:`matador.plotting.spectral_plotting.dispersion_plot` more API friendly, and added example notebook.
  - Fixed bug in cell scraping for old ``BS_*`` style keywords.

- Improvements to magres functionality, including scraping of units (#90)
- Example notebooks that do not need external data/databases are now run as part of CI (#91).
- New workflow for NMR calculations and refactoring of old workflows (#96).

  - New workflow performs relaxation and high-quality SCF before NMR calculation.
  - Old workflows refactored and improved to enforce certain required parameters for e.g. checkpointing.
  - Enabled phonon workflow for CASTEP ``PHONON+EFIELD`` task.
  - Made file scrapers less dependent on file type.

- Updated CASTEP parameter list to 20.1 (#97).
- Tweaked spectral plotting defaults, including ``--colours`` flag to dispersion script (#98).

CHANGELOG.rst

@@ -3,22 +3,22 @@
 Changelog
 =========
 
-Changes since last release [06/08/2020]
----------------------------------------
+New in release (0.9.8) [10/08/2020]
+-----------------------------------
 - Improvements to PDIS functionality (#94).
 
-    - Rasterized scatter points for more efficient exporting and fewer graphical artifacts
-    - Made underlying :func:`matador.plotting.spectral_plotting.dos_plot` and :func:`matador.plotting.spectral_plotting.dispersion_plot` more API friendly, and added example notebook.
-    - Fixed bug in cell scraping for old ``BS_*`` style keywords.
+  - Rasterized scatter points for more efficient exporting and fewer graphical artifacts
+  - Made underlying :func:`matador.plotting.spectral_plotting.dos_plot` and :func:`matador.plotting.spectral_plotting.dispersion_plot` more API friendly, and added example notebook.
+  - Fixed bug in cell scraping for old ``BS_*`` style keywords.
 
 - Improvements to magres functionality, including scraping of units (#90)
 - Example notebooks that do not need external data/databases are now run as part of CI (#91).
 - New workflow for NMR calculations and refactoring of old workflows (#96).
 
-    - New workflow performs relaxation and high-quality SCF before NMR calculation.
-    - Old workflows refactored and improved to enforce certain required parameters for e.g. checkpointing.
-    - Enabled phonon workflow for CASTEP ``PHONON+EFIELD`` task.
-    - Made file scrapers less dependent on file type.
+  - New workflow performs relaxation and high-quality SCF before NMR calculation.
+  - Old workflows refactored and improved to enforce certain required parameters for e.g. checkpointing.
+  - Enabled phonon workflow for CASTEP ``PHONON+EFIELD`` task.
+  - Made file scrapers less dependent on file type.
 
 - Updated CASTEP parameter list to 20.1 (#97).
 - Tweaked spectral plotting defaults, including ``--colours`` flag to dispersion script (#98).
@@ -65,9 +65,9 @@ New in release (0.9.2) [01/06/2020]
 - Added ability to choose which projectors are plotted with dispersion (#47)
 - Various minor fixes and updates:
 
-    - Updates to docs for CLI and configuration.
-    - Allow nan-values to be reset inside :class:`matador.crystal.Crystal`.
-    - Fixed display ordering of fingerprint-filtered cursors.
+  - Updates to docs for CLI and configuration.
+  - Allow nan-values to be reset inside :class:`matador.crystal.Crystal`.
+  - Fixed display ordering of fingerprint-filtered cursors.
 
 
 New in release (0.9.1) [20/05/2020]

matador/__init__.py

@@ -11,6 +11,6 @@
 __all__ = ['__version__']
 __author__ = 'Matthew Evans'
 __maintainer__ = 'Matthew Evans'
-__version__ = "0.9.7"
+__version__ = "0.9.8"
 
 script_epilog = f"Written and maintained by Matthew Evans (me388@cam.ac.uk) 2016-2020, version {__version__}."