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v.6.22.00

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@rneder rneder released this 16 Jul 15:50
· 77 commits to master since this release

Important new version!

GENERAL
Introduced two common file formats for:
disordered structures and
diffuse data

DISCUS
mmc Improved convergence of 'cn' coordination number target
mmc Modernized 'apply_symmetry' output
import Modernized preparation of refine macros
output
read Files with ending ".hdf5" ".h5" are interpreted as
unified common structure format
save Added format 'nexus' for unified common structure file format

KUPLOT
calc Extending calculations to 3D
'val' qualifier substitutes old 'wz'
'wz' refers to coordinates for 3D data
load Added 'rmc' for RMCprofile 3D data
load Added 'nexus' for DAunified common diffuse data file format
match Extended to 3D data
variables val[data_set, h,k,l] returns value at pixel for 3D data
val[data_set, h,k ] returns value at pixel for 2D data
val[data_set, h ] returns value at pixel for 1D data