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Commits · 3.7.0
ase
Browse files
May 13, 2013
Last minute change: spanish translation
· b86b6647
jensj
authored
May 13, 2013
View commits for tag 3.7.0
3.7.0
b86b6647
updated Spanish translation. Thanks to Juanma for corrections
· 3ea5e8b4
askhl
authored
May 13, 2013
3ea5e8b4
Version 3.7.0
· b83683b4
jensj
authored
May 13, 2013
b83683b4
trunk will soon become 3.7 and not 3.6.1
· 67cb3e91
jensj
authored
May 13, 2013
67cb3e91
elk changes from cli branch
· 33001515
dulak
authored
May 13, 2013
33001515
May 10, 2013
First attempt at reading quantum espresso in and out files. Works only for ibrav=0 cases currently.
· 5aed5a36
anpet
authored
May 10, 2013
5aed5a36
May 09, 2013
latest elk changes from cli branch
· 2122c0de
dulak
authored
May 09, 2013
2122c0de
May 08, 2013
make debugging easier
· 1baf155a
jesswe
authored
May 08, 2013
1baf155a
May 07, 2013
hopefully fix MANIFEST.in
· 68cce52a
dulak
authored
May 07, 2013
68cce52a
Typo. Thanks Guido Falk
· 31271691
jensj
authored
May 07, 2013
31271691
May 06, 2013
preparing new release tarball
· 4e7f4fe4
dulak
authored
May 06, 2013
4e7f4fe4
Get rid of document isn't included in any toctree
· 21598873
jensj
authored
May 06, 2013
21598873
Remove old stuff
· 1ab99cd2
jensj
authored
May 06, 2013
1ab99cd2
Remove old stuff
· 5c6e9eb0
jensj
authored
May 06, 2013
5c6e9eb0
Move dissociation tutorial files
· 2cac862f
jensj
authored
May 06, 2013
2cac862f
Use new syntax.
· b128970d
jensj
authored
May 06, 2013
b128970d
Use underscore instead of space.
· 2da71417
jensj
authored
May 06, 2013
2da71417
May 03, 2013
Add important reference to XKCD
· 187e6e1d
jensj
authored
May 03, 2013
187e6e1d
May 02, 2013
Link to opls.
· fb412849
miwalter
authored
May 02, 2013
fb412849
May 01, 2013
Danish translations done.
· 54dd0877
jensj
authored
May 01, 2013
54dd0877
avoid global seed of numpy.random, thanks to askhl.
· 592d4b3b
jesswe
authored
May 01, 2013
592d4b3b
weed out several errors in FixInternals' handling of bond length constraints. Improve test.
· b06d6fde
askhl
authored
May 01, 2013
b06d6fde
make BEE estimate identical on different CPU architectures
· 891d27e2
jesswe
authored
May 01, 2013
891d27e2
Apr 30, 2013
partially updated Danish translation and updated British translation
· be5e98cd
askhl
authored
Apr 30, 2013
be5e98cd
use old style ase task test for now
· 498988f3
dulak
authored
Apr 30, 2013
498988f3
typo fixes, reformat a bit
· 82814ae0
askhl
authored
Apr 30, 2013
82814ae0
Apr 29, 2013
not ready for cli elk tests in trunk yet
· ee8a93c0
dulak
authored
Apr 29, 2013
ee8a93c0
new style elk interface in trunk
· fedefbe2
dulak
authored
Apr 29, 2013
fedefbe2
Update release notes for ase-3.7. Anything missing?
· 47f74cac
jensj
authored
Apr 29, 2013
47f74cac
Move warnings to __init__.
· f4d48551
miwalter
authored
Apr 29, 2013
f4d48551
Don't use crypt.
· 58f6bb82
jensj
authored
Apr 29, 2013
58f6bb82
Gaël Donval is gonna work on VASP and maybe other stuff ...
· 210e9f94
jensj
authored
Apr 29, 2013
210e9f94
Apr 25, 2013
Error message for empty trajectories as well as missing.
· 51079d0c
anpet
authored
Apr 25, 2013
51079d0c
Improve error message.
· 587bab14
jensj
authored
Apr 25, 2013
587bab14
Apr 24, 2013
Patch from Georg Madsen: allow the setting of atomic numbers (e.g. for virtual crystal calcs)
· 9e0ba522
jensj
authored
Apr 24, 2013
9e0ba522
Apr 22, 2013
Some explanation for opls.py
· f159b11f
miwalter
authored
Apr 22, 2013
f159b11f
Helper classes to define OPLS force field structures.
· 6656334c
miwalter
authored
Apr 22, 2013
6656334c
Avoid numerical problems
· 069e9986
jensj
authored
Apr 22, 2013
069e9986
Apr 18, 2013
Always test MorsePotential
· f5aa81c5
jensj
authored
Apr 18, 2013
f5aa81c5
Base Morse and LJ potentials on new base class and test Morse.
· 11a26a2a
jensj
authored
Apr 18, 2013
11a26a2a
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