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Shane Carr
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elements
316f62b3
·
First draft of the chemical elements to be used for ease of use in atomic orbital codes
·
Nov 27, 2008
dacapo
ab2827a0
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Current version does not work with '-O' option. We should update to version 1.0.7
·
Jan 08, 2009
usertags
99b43de9
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modifications to allow user-defined object tags on an atom object that are...
·
Dec 18, 2009
clusteratom
c213cec7
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Remove unused ClusterAtom
·
Jun 14, 2011
eos
6796294b
·
Move EOS stuff from cmdline branch to eos branch
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Oct 17, 2011
cmdline
61ab0ba7
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Ignore blank lines containing whitespace.
·
Oct 17, 2011
ase_molecule_test
2045f467
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allow dacapo create output files with special characters in names
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Dec 13, 2011
vasp
d0e027d8
·
FIX: read CONTCAR if the species list was truncated
·
May 30, 2013
cli
0936b1d4
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Import argparse later until we have converted it to optparse ...
·
Sep 27, 2013
ga
72dbe92b
·
ga: Introduced various sanity checks and improved the documentation.
·
Apr 14, 2014
db
9a943602
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Don't read old format
·
May 05, 2014
thermodynamics
5a60edb8
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Added md and free_energy scripts
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Aug 06, 2014
d3
51b84a26
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Merged trunk
·
Aug 22, 2014
nokeywords
ec7b3b49
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Merge from trunk
·
Nov 25, 2014
py3k
e551c6c5
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Merge from trunk
·
Feb 03, 2015
trajectory
9af85cd9
·
First rough sketch
·
Feb 03, 2015
idpp
565cc933
·
Version 0.1 ...
·
Feb 05, 2015
rows
4bba24f5
·
Merge from trunk
·
May 06, 2015
atoms_mads
5478ce10
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Merge from trunk
·
May 11, 2015
cp2k
f8d06f22
·
Merge from trunk
·
May 22, 2015
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