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WIP: Connectivity diagram

!135 · created Mar 05, 2016 by username-removed-284116 master
updated Mar 07, 2017
ENH: added a read function for VASP's hessian

!259 · created Sep 08, 2016 by username-removed-478503 master VASP
updated Sep 13, 2016
ENH: Atoms.get_spacegroup() method which determines the spacegroup from the Atoms.positions

!300 · created Oct 06, 2016 by username-removed-646258 master
updated May 30, 2017
WIP: Implement band structure functionality in CP2K

!330 · created Nov 01, 2016 by username-removed-249965 master
updated Mar 06, 2017
WIP: Added I-V curve function to tansport module

!337 · created Nov 11, 2016 by username-removed-837831 master
updated Dec 02, 2016
Symmetric surface

!362 · created Nov 30, 2016 by username-removed-265993 master
- 7
updated Jun 08, 2017
WIP: lammpslib.py

!364 · created Dec 02, 2016 by username-removed-261087 master
updated Apr 27, 2017
WIP: hide search words

!373 · created Dec 07, 2016 by username-removed-406082 master
updated Dec 07, 2016
WIP: Fix writing Wannier functions to file

!382 · created Dec 16, 2016 by username-removed-270410 master
updated Sep 27, 2017
ENH: Constraints additive

!404 · created Jan 23, 2017 by username-removed-265993 master
- 2
updated Apr 14, 2017
WIP: Phonons write: Added write_as_json method to class Phonons

!427 · created Feb 21, 2017 by username-removed-1133030 master
updated Feb 22, 2017
Simple set_initial_magnetic_moments

!464 · created Apr 05, 2017 by username-removed-517026 master
updated Apr 18, 2017
Move structure in gui

!465 · created Apr 05, 2017 by username-removed-256065 master
updated Sep 05, 2017
Lammps multistep

!481 · created Apr 17, 2017 by username-removed-580823 master
updated Nov 27, 2017
WIP: ENH: Polished Turbomole, Amber, qmmm calculators

!526 · created Jun 07, 2017 by username-removed-1380022 master
updated Sep 28, 2017
WIP: Pipek-Mezey Wannier functions

!536 · created Jun 15, 2017 by username-removed-572630 master
updated Jun 15, 2017
WIP: ENH: Added three keywords in vasp caculator: langevin_gamma, langevin_gamma_l and pmass

!560 · created Jun 29, 2017 by username-removed-443576 master VASP
- 1
- 10
updated Sep 27, 2017
Stringbuilder class for O(N) string building with +=.

!565 · created Jul 02, 2017 by username-removed-71312 master
updated Jul 08, 2017
WIP: Vasp with FileIOCalculator

!569 · created Jul 07, 2017 by username-removed-473205 master
- 1
- 2
updated Oct 05, 2017
WIP: More consistent Atom class

!580 · created Jul 14, 2017 by username-removed-71312 master
updated Jul 14, 2017