Commits

Commits on Sep 17, 2015

Allow zero-length trajectories and add test. Thanks Andy - for finding this bug
jensj
committedSep 17, 2015

Commits on Sep 16, 2015

Add keyword to VASP calculator, fix reading of gaussian input files, and add 'mic' keyword to NEB object and interpolate function
ehermes
committedSep 16, 2015
PEP8 fixes.
gjenness
committedSep 16, 2015
Made changes to I/O and calculator class to make them compatable with the new I/O methodology.
gjenness
committedSep 16, 2015

Commits on Sep 11, 2015

Rename Mac installation link due to user feedback.
schiotz
committedSep 11, 2015

Commits on Sep 7, 2015

Added line to change supercell size
mhah
committedSep 7, 2015

Commits on Sep 5, 2015

other mention of Octopus
askhl
committedSep 5, 2015
mention Octopus calculator
askhl
committedSep 5, 2015

Commits on Sep 4, 2015

Python 3 compatibility and pep8 cleanup
jensj
committedSep 4, 2015
Merge Castep changes from Simon Rittmeyer
jensj
committedSep 4, 2015

Commits on Sep 3, 2015

add "turbo" keyword to Vasp calculator
ehermes
committedSep 3, 2015
Add support for fractional coordinates. Patch from Adam Jackson
jensj
committedSep 3, 2015
Fix reading of aims-output files
jensj
committedSep 3, 2015

Commits on Sep 2, 2015

Update ase.visualize.view to use subprocess instead of os.system
ehermes
committedSep 2, 2015
Use initial magnetic moments
jensj
committedSep 2, 2015

Commits on Sep 1, 2015

documentation on Octopus interface. Work in progress
askhl
committedSep 1, 2015
add octopus logo. Apologies for binary file, but the other codes do it too.
askhl
committedSep 1, 2015

Commits on Aug 31, 2015

Make Forces and Stresses optional in vasprun.xml reader
ehermes
committedAug 31, 2015
Remove dtype argument from np.zeros_like for old numpy
ehermes
committedAug 31, 2015
Fix MIC in NEB plotting, fix reading VASP output files, fix typo in find_mic documentation
ehermes
committedAug 31, 2015
Compatibility with numpy-1.10: Convert mask to indices in FixAtoms class.
jensj
committedAug 31, 2015
Compatibility with numpy-1.10
jensj
committedAug 31, 2015

Commits on Aug 28, 2015

Commits on Aug 26, 2015

in ase.ga.utilities.py fixed typos
stly
committedAug 26, 2015

Commits on Aug 25, 2015

Document use of connect() as a context manager
jensj
committedAug 25, 2015

Commits on Aug 24, 2015

Make sure lock-file is always removed
jensj
committedAug 24, 2015
Only add properties that are present
jensj
committedAug 24, 2015
PEP8
jensj
committedAug 24, 2015
Decorators hide these three from Sphinx, so we add them by hand
jensj
committedAug 24, 2015
Docstring for Database.count()
jensj
committedAug 24, 2015
Add __len__() to database class and update docstring for update().
jensj
committedAug 24, 2015
Small buglet
jensj
committedAug 24, 2015
Write about how to style-check .py files
jensj
committedAug 24, 2015
Only add _little_endian key if needed
jensj
committedAug 24, 2015