Recent Releases of elastic
elastic - Maintenance release
This is a maintenance release to force x.y.z.build versioning numbers and update zenodo DOI links in the docs.
- Python
Published by jochym about 8 years ago
elastic - Last release of the 4.x series
This is the last release of the legacy 4.x software. The next series will be API incompatible with this code and will include a CLI tool for doing calculations. This is a maintenance release for those who cannot upgrade. Still you better upgrade - this will not be supported for much longer and the new API is much better. And you do not need to know python to use it!
- Python
Published by jochym about 8 years ago
elastic - 5.0 - API incompatible release.
The new 5.0 version is API incompatible with the previous versions. It provides a new command line utility as the main user interface to the package - which hopefully will broaden the user base byond python users.
The new version also changes API of the library from mix-in class to the set of simple functions providing functionality of the module. The workflow of the package was also changed to prepare data - calculate - post-process style, which is better suited to serious research work.
- Python
Published by jochym about 8 years ago
elastic - TravisCI & Conda testing/deploynment + Py2/3 porting.
- Python
Published by jochym over 10 years ago
elastic - Change file open patterns to more robust "with open as" pattern.
- Python
Published by jochym over 10 years ago
elastic - New versioning scheme. Update to spglib interface.
This is a minor maintenance release. - The versioning scheme is switched to the one based on git tags and 'git describe' produced strings and made conformant to PEP 440 (presumably). - The new interface of spglib is accommodated.
- Python
Published by jochym over 10 years ago
elastic - Non-blocking mode implemented
Non blocking mode for ClusterVasp and appropriate additions to getBMEOS and getelastictensor implemented. Blocking mode still default. Pass block=False to ParCalculate to run in non-blocking mode. Documentation is not complete yet. See the test_02.py for example usage.
- Python
Published by jochym almost 11 years ago
elastic - Move to setuptools + automatic version generation in files.
There may be some rough edges in the setup. Fingers crossed!
- Python
Published by jochym almost 11 years ago
elastic - Maintenance release
Elastic v4.0.10
Maintenance release to bring the code in sync with current ASE and have it fully functional in Python 2.7 and 3.4. No extensions for now but many bugs and problems fixed. Also fairly complete test case added as a separate script and verified on my system.
- Python
Published by jochym almost 11 years ago
elastic - Sync Python 2 and 3 code. New mixin solution.
- Python
Published by jochym almost 11 years ago
elastic - Move to prepare-calc-analyze workflow and sync with ASE.
- Python
Published by jochym almost 11 years ago
elastic - Bugfix + conda build
This is a small polishing release: - Remove problems with object serialization - Make files for conda build
- Python
Published by jochym about 11 years ago