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456
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Updated date
tags are incremented on __imul__ and extend
!1521
· created
Nov 24, 2019
by
Yashasvi S. Ranawat
Closed
2
updated
Nov 27, 2019
April Hu Testing
!1530
· created
Nov 25, 2019
by
Aprilhuu
Closed
updated
Nov 25, 2019
WIP: LammpsAtoms object
!1103
· created
Feb 20, 2019
by
Yashasvi S. Ranawat
Closed
5
updated
Nov 22, 2019
Siesta pure endblock
!1466
· created
Nov 04, 2019
by
Peter KOVAL
Closed
1
updated
Nov 04, 2019
WIP: CI experiments
!1455
· created
Nov 01, 2019
by
Ask Hjorth Larsen
Closed
updated
Nov 01, 2019
Add contribute rst
!1416
· created
Oct 15, 2019
by
Evgeny Posenitskiy
Closed
4
updated
Oct 26, 2019
WIP: Constrained dofs filter
!1003
· created
Nov 02, 2018
by
Ask Hjorth Larsen
Closed
2
updated
Oct 08, 2019
ENH:Read initial_charge and fix initial_moment bug
!1401
· created
Oct 03, 2019
by
Sebastian Kokott
Closed
updated
Oct 03, 2019
Fix on IO espresso pw output with many bands + added "get_k_point_weights" to SinglePointDFTCalculator
!1192
· created
May 22, 2019
by
Lorenzo Monacelli
Closed
22
updated
Sep 23, 2019
First simple implementation of QChem Calculator
!1264
· created
Jul 05, 2019
by
Ralf Meyer
Closed
25
updated
Sep 18, 2019
Use display=False with povray
!1368
· created
Sep 14, 2019
by
Ask Hjorth Larsen
Closed
1
updated
Sep 14, 2019
WIP: Experimenting with C-code in ASE
!760
· created
Feb 13, 2018
by
Mikael Kuisma
Closed
1
updated
Sep 11, 2019
WIP: charges.bin read every dftb step.
!759
· created
Feb 12, 2018
by
Daniele Selli
Closed
1
updated
Sep 11, 2019
WIP: Find spacegroup displacements.
!754
· created
Feb 09, 2018
by
ithod
Closed
1
updated
Sep 11, 2019
WIP: ENH: Polished Turbomole, Amber, qmmm calculators
!526
· created
Jun 07, 2017
by
markus kaukonen
Closed
10
updated
Sep 11, 2019
Simple set_initial_magnetic_moments
!464
· created
Apr 05, 2017
by
ithod
Closed
8
updated
Sep 11, 2019
WIP: Connectivity diagram
!135
· created
Mar 05, 2016
by
Jesper Friis
Closed
13
updated
Sep 11, 2019
WIP: hide search words
!373
· created
Dec 07, 2016
by
Mikkel Strange
Closed
2
updated
Sep 11, 2019
Read atoms from stdin
!729
· created
Jan 25, 2018
by
Ask Hjorth Larsen
Closed
15
updated
Sep 11, 2019
deprecate ase.parallel.rank and size using wrapper around module
!1361
· created
Sep 09, 2019
by
Ask Hjorth Larsen
Closed
3
updated
Sep 10, 2019
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