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cli to convert file-formats

!631 · created Oct 08, 2017 by username-removed-517026 master
updated Oct 08, 2017
ENH: Colormode number of neighbors introduced.

!630 · created Oct 06, 2017 by username-removed-255251 master
- Merged
- 4
updated Oct 07, 2017
MAINT: Remove set_atoms() hack in neb.py

!629 · created Oct 06, 2017 by username-removed-473205 master
- Merged
- 1
updated Oct 07, 2017
Test all ase readers

!628 · created Oct 06, 2017 by username-removed-517026 master
updated Oct 06, 2017
Let filetype() raise instead of returning None. Closes #171

!627 · created Oct 06, 2017 by username-removed-71423 master
updated Oct 06, 2017
ENH:Speedup of XRD caclulations

!626 · created Oct 04, 2017 by username-removed-457173 master
updated Oct 08, 2017
Add molecules in gui

!625 · created Oct 02, 2017 by username-removed-71312 master
updated Oct 02, 2017
cli for reciprocal space.

!624 · created Sep 29, 2017 by username-removed-517026 master
updated Oct 08, 2017
ENH: Enable to read python2 written pckl files within python3

!623 · created Sep 29, 2017 by username-removed-255251 master
- Merged
- 2
updated Oct 01, 2017
Typo fix

!622 · created Sep 29, 2017 by username-removed-1510271 master
- Closed
- 3
updated Oct 02, 2017
MAINT: corrected HinderedThermo variable definition

!621 · created Sep 28, 2017 by username-removed-463007 master
- Merged
- 0
updated Sep 28, 2017
Add a utility for generating cutoff radii naturally from the covalent radii

!620 · created Sep 28, 2017 by username-removed-263547 master
- Merged
- 3
updated Sep 29, 2017
DOC: add reference to HinderedThermo

!619 · created Sep 27, 2017 by username-removed-463007 master
- Merged
- 0
updated Sep 27, 2017
DOC: updated HinderedThermo documentation

!618 · created Sep 26, 2017 by username-removed-463007 master
- Merged
- 1
updated Sep 27, 2017
STM/STS

!617 · created Sep 25, 2017 by username-removed-867507 master
updated Sep 26, 2017
[ENH] spacegroup: add get_spacegroup function, which either use phonopy/spglib…

!616 · created Sep 25, 2017 by username-removed-646258 master
- Merged
- 14
updated Sep 27, 2017
ENH: add "print_level" key word in "global" section to ase.calculators.cp2k

!615 · created Sep 23, 2017 by username-removed-1599604 master
- Merged
- 2
updated Sep 26, 2017
ENH: Added a new genetic algorithm tutorial predicting a convex hull

!614 · created Sep 21, 2017 by username-removed-256065 master
- Merged
- 0
updated Sep 21, 2017
Delete constraints when repeating in gui

!613 · created Sep 19, 2017 by username-removed-71312 master
- Merged
- 0
updated Sep 20, 2017
rename atoms.arrays['magmoms'] to atoms.arrays['initial_magmoms']

!612 · created Sep 19, 2017 by username-removed-71312 master
- Merged
- 1
updated Sep 20, 2017

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