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Updated date
update octopus interface for compatibility with octopus trunk
!127
· created
Feb 26, 2016
by
Ask Hjorth Larsen
Merged
updated
Mar 08, 2016
BUG: Corrected unit mismatch in alpha and C6 of Au. ENH: Ag, Pd, Pt added.
!128
· created
Mar 01, 2016
by
Michael Walter
Merged
updated
Mar 07, 2016
No old trajs
!126
· created
Feb 23, 2016
by
Jens Jørgen Mortensen
Merged
updated
Feb 23, 2016
Fix reading of siesta struct_out file
!125
· created
Feb 19, 2016
by
brandimarte
Merged
updated
Feb 19, 2016
Read-The-Docs theme
!124
· created
Feb 19, 2016
by
Jens Jørgen Mortensen
Merged
updated
Feb 19, 2016
MAINT: Added sync() method which call sync() of the underlying netCDF4 object. S…
!122
· created
Feb 18, 2016
by
Lars Pastewka
Merged
updated
Feb 19, 2016
Fix version compare
!119
· created
Feb 17, 2016
by
Ask Hjorth Larsen
Merged
updated
Feb 17, 2016
Fix translations in GUI
!118
· created
Feb 16, 2016
by
Ask Hjorth Larsen
Merged
updated
Feb 17, 2016
ENH/FIX: Castep block support in .param files and bug fix to .cell writer
!116
· created
Feb 12, 2016
by
James Kermode
Merged
updated
Feb 17, 2016
MAINT: Made castep's shell_stdouterr() functionality python3-safe
!111
· created
Jan 29, 2016
by
Simon P. Rittmeyer
Merged
updated
Feb 09, 2016
add vasp read_vib_freq function
!112
· created
Jan 29, 2016
by
Zhenhua Zeng
Merged
updated
Feb 09, 2016
vasp calculator: small fix for xdat2traj to map forces correctly to atoms
!113
· created
Feb 03, 2016
by
Prateek Mehta
Merged
updated
Feb 09, 2016
BUG: Bugfix in castep calculator read() and merge_param() routine
!110
· created
Jan 29, 2016
by
Simon P. Rittmeyer
Merged
4
updated
Jan 29, 2016
fix a bug in general_surface for 1 ML slab and for superposition problem in N+1 …
!108
· created
Jan 21, 2016
by
Zhenhua Zeng
Merged
updated
Jan 21, 2016
GitLab's CI will now run pyflakes on the code
!107
· created
Jan 20, 2016
by
Jens Jørgen Mortensen
Merged
updated
Jan 20, 2016
New siesta
!106
· created
Jan 19, 2016
by
Mads Engelund
Merged
updated
Jan 20, 2016
Mopac update
!105
· created
Jan 19, 2016
by
Jens Jørgen Mortensen
Merged
updated
Jan 19, 2016
Expand tilde in filenames
!103
· created
Jan 12, 2016
by
Jens Jørgen Mortensen
Merged
updated
Jan 13, 2016
Get rid of all warnings from pyflakes
!102
· created
Jan 11, 2016
by
Jens Jørgen Mortensen
Merged
updated
Jan 12, 2016
Thermochemistry
!101
· created
Jan 07, 2016
by
Andrew Peterson
Merged
updated
Jan 11, 2016
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