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Use initial magnetic moments in phonon calculations

!380 · created Dec 13, 2016 by username-removed-735760 master
- CLOSED
- 0
updated Dec 13, 2016
Make phonons able to use initial magnetic moments of atoms

!381 · created Dec 13, 2016 by username-removed-735760 master
- CLOSED
- 6
updated Apr 19, 2017
Adding the TIP4P force field for water to ASE, compatible with the QM/MM module

!391 · created Jan 06, 2017 by username-removed-559845 master
- CLOSED
- 35
updated Mar 01, 2017
Minor improvement: more robust spacegroup datafile reader

!393 · created Jan 10, 2017 by username-removed-284116 master
- CLOSED
- 5
updated Mar 06, 2017
fix ulm/numpy/python2 file-object problem

!407 · created Feb 01, 2017 by username-removed-71312 master
- CLOSED
- 9
updated Feb 06, 2017
Fix inconsistent file mode for potcar writing in vasp

!425 · created Feb 18, 2017 by username-removed-431132 master VASP
- CLOSED
- 4
updated Feb 27, 2017
ENH: Added function to compute numeric stress.

!432 · created Feb 27, 2017 by username-removed-151986 master
- CLOSED
- 2
updated Feb 28, 2017
Add vibrations py

!437 · created Mar 04, 2017 by username-removed-1159592 master
- CLOSED
- 0
updated Mar 08, 2017
Added charges extxyz.py

!439 · created Mar 05, 2017 by username-removed-1159592 master
- CLOSED
- 6
updated Mar 06, 2017
Modify vibrations py

!442 · created Mar 08, 2017 by username-removed-1159592 master
- CLOSED
- 0
updated Mar 09, 2017
Added the capability in i/o to read the dipole moment from vasprun.xml if it exists

!443 · created Mar 09, 2017 by username-removed-1159592 master
- CLOSED
- 0
updated Mar 09, 2017
ase.db metadata

!448 · created Mar 15, 2017 by username-removed-71423 master
- CLOSED
- 1
updated Mar 21, 2017
WIP: New webinterface

!451 · created Mar 17, 2017 by username-removed-1167709 master
- CLOSED
- 6
updated Apr 03, 2017
WIP: One command line tool "ase" to replace all the other ones ("ase-gui", "ase-db", ...)

!452 · created Mar 21, 2017 by username-removed-71423 master
- CLOSED
- 0
updated Mar 21, 2017
Last problem fixed with translation functions, confirmed to work.

!476 · created Apr 11, 2017 by username-removed-263547 master
- CLOSED
- 3
updated Apr 11, 2017
ase dlpoly

!477 · created Apr 11, 2017 by username-removed-71312 master
- CLOSED
- 6
updated Jun 10, 2017
BUG: Move set_calculator() call out of loop over atoms

!491 · created Apr 27, 2017 by username-removed-131198 master VASP
- CLOSED
- 1
updated Apr 27, 2017
BUG: fix bug in read_vasp_out()

!492 · created Apr 27, 2017 by username-removed-131198 master
- CLOSED
- 0
updated Apr 27, 2017
BUG: write_turbomole() in ase.io.turbomole does not write the constraints for fixed atoms

!506 · created May 15, 2017 by username-removed-709664 master
- CLOSED
- 6
updated May 23, 2017
write required pdb file. Fixes: #102

!529 · created Jun 09, 2017 by username-removed-71312 master
- CLOSED
- 1
updated Jun 09, 2017

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