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mic
19fa563a
·
Merge from trunk
·
May 26, 2015
embedding
d1c3676b
·
changed readme to include location of associated gpaw branch
·
Jun 12, 2015
gui_experiment
86cd5742
·
Use subprocess
·
Aug 05, 2015
io
10b86811
·
Merge from trunk
·
Aug 10, 2015
qmmm
64b115de
·
Allow for PBC in TIP3P
·
Sep 15, 2015
nopickle
ee94be9c
·
Allow zero-length trajectories and add test. Thanks Andy - for finding this bug
·
Sep 17, 2015
castep
a2b30055
·
Merge branch 'master' into castep
·
Feb 12, 2016
ase/ase!116
extxyz
e08ec0a3
·
BUG: Python 3 fix for extxyz reader
·
Mar 01, 2016
ase/ase!62
checkpoint
a2c18426
·
Documentation on checkpointing from Lars Pastewka
·
May 17, 2016
ase/ase!129
castep-stress-fix
7c226ddf
·
Bug fix to Castep stress calculation: units in .castep file are GPa, not eV/A^3
·
May 19, 2016
ase/ase!186
vasp-force-consistent-energy
f6974dd8
·
Merge branch 'master' into vasp-force-consistent-energy
·
Jul 26, 2016
ase/ase!190
vasp-kspacing
029c8709
·
Merge branch 'master' into vasp-kspacing
·
Aug 01, 2016
ase/ase!226
precon
36f57491
·
Merge branch 'master' into precon
·
Sep 07, 2016
unitcellfilter
9bc7d80c
·
BUG: fix failing test with new UnitCellFilter by better minimising stresses
·
Sep 07, 2016
ase/ase!255
loggingcalc
697c4220
·
ENH: make LoggingCalculator work with old-style calculators
·
Sep 08, 2016
ase/ase!256
precon-lbfgs
3029abc5
·
BUG: fix typo in previous commit
·
Oct 14, 2016
ase/ase!258
lammpsdata
8aa58c4a
·
PY3: use StrinIO from ase.utils
·
Jan 05, 2017
ase/ase!361
master
default
059df1c5
·
Merge branch 'molecule-docs' into 'master'
·
Sep 29, 2020
ase/ase!16
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