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Overview
Active
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calctroll
default
8f53ab47
·
New constraint.
·
Feb 14, 2023
master
3a8b1ad4
·
Merge branch 'neb_interpolate_apply_constraint' into 'master'
·
Mar 30, 2021
siesta_update
d0a0939d
·
Small silly conflict.
·
Dec 06, 2016
new_siesta
5061d5ec
·
Fixing documentation and bug related to FDF input.
·
Aug 10, 2016
nopickle
ee94be9c
·
Allow zero-length trajectories and add test. Thanks Andy - for finding this bug
·
Sep 17, 2015
qmmm
64b115de
·
Allow for PBC in TIP3P
·
Sep 15, 2015
castep
1f5e1044
·
Merge from trunk
·
Sep 04, 2015
io
10b86811
·
Merge from trunk
·
Aug 10, 2015
gui_experiment
86cd5742
·
Use subprocess
·
Aug 05, 2015
embedding
d1c3676b
·
changed readme to include location of associated gpaw branch
·
Jun 12, 2015
mic
19fa563a
·
Merge from trunk
·
May 26, 2015
cp2k
f8d06f22
·
Merge from trunk
·
May 22, 2015
rows
4bba24f5
·
Merge from trunk
·
May 06, 2015
idpp
565cc933
·
Version 0.1 ...
·
Feb 05, 2015
trajectory
9af85cd9
·
First rough sketch
·
Feb 03, 2015
py3k
e551c6c5
·
Merge from trunk
·
Feb 03, 2015
nokeywords
ec7b3b49
·
Merge from trunk
·
Nov 25, 2014
d3
51b84a26
·
Merged trunk
·
Aug 22, 2014
thermodynamics
5a60edb8
·
Added md and free_energy scripts
·
Aug 06, 2014
db
9a943602
·
Don't read old format
·
May 05, 2014
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