Merge requests · ase / ase · GitLab

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ase gui render

!574 · created Jul 11, 2017 by username-removed-71312 master
- Merged
- 5
updated Jul 27, 2017
Slice Atoms without modifying original constraints

!573 · created Jul 11, 2017 by username-removed-256065 master
- Merged
- 1
updated Jul 12, 2017
BUG: Only call subprocess on master node

!572 · created Jul 11, 2017 by username-removed-473205 master
- Merged
- 0
updated Jul 11, 2017
Update ase-gui.desktop

!570 · created Jul 08, 2017 by username-removed-910973 master
- Merged
- 1
updated Jul 08, 2017
QMMM+TIP4P fix

!568 · created Jul 07, 2017 by username-removed-71423 master
- Merged
- 1
updated Jul 07, 2017
fixed PrepareDB in GA

!567 · created Jul 05, 2017 by username-removed-256065 master
- Merged
- 0
updated Jul 05, 2017
Fixed dipole moment error in vasp_xml.py test.

!566 · created Jul 03, 2017 by username-removed-256065 master
- Merged
- 0
updated Jul 03, 2017
raise an error if images have same calculator

!564 · created Jul 02, 2017 by username-removed-71312 master
- Merged
- 0
updated Jul 08, 2017
StrainFilter now calls the Filter constructor. This will fix some issues like…

!563 · created Jun 30, 2017 by username-removed-71312 master
- Merged
- 0
updated Jun 30, 2017
Made the PBSQueueRun object in ase.ga python3 compatible

!562 · created Jun 30, 2017 by username-removed-256065 master
- Merged
- 0
updated Jun 30, 2017
ENH: Use initial charges if charges are not available.

!561 · created Jun 30, 2017 by username-removed-255251 master
- Merged
- 10
updated Sep 13, 2017
band structure plot legend with spins

!559 · created Jun 29, 2017 by username-removed-302375 master
- Merged
- 0
updated Jun 29, 2017
Find command

!558 · created Jun 29, 2017 by username-removed-71423 master
- Merged
- 8
updated Jul 31, 2017
Wrapped atoms in read_atoms_from_outmol in order to assure…

!557 · created Jun 26, 2017 by username-removed-581020 master
- Merged
- 0
updated Jun 28, 2017
BUG: Return list instead of map

!556 · created Jun 26, 2017 by username-removed-473205 master
VASP
- Merged
- 0
updated Jul 12, 2017
ENH: Read eigenvectors and eigenvalues in the nwchem calculator

!555 · created Jun 26, 2017 by username-removed-709664 master
- Merged
- 1
updated Jul 08, 2017
attempt to fix windows scroll wheel in ase gui. Closes: #132

!554 · created Jun 23, 2017 by username-removed-71312 master
- Merged
- 6
updated Jul 12, 2017
display index numbers as 1..N instead of 0..(N-1) in the gui.

!553 · created Jun 22, 2017 by username-removed-71312 master
- Merged
- 6
updated Jul 20, 2017
ENH: Vasp XML import missing info: spin channels, k-point weightings

!552 · created Jun 22, 2017 by username-removed-282459 master
VASP
- Merged
- 4
updated Jul 18, 2017
Highlight row on mouse hover

!551 · created Jun 21, 2017 by username-removed-415345 master
- Merged
- 0
updated Jun 21, 2017

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