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v.6.21.02

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@rneder rneder released this 19 Apr 16:36
· 29 commits to master since this release

Moderate update
Most importantly, a bug related to the Lanczos filter was fixed

GENERAL
do/if Improved error handling while reading macros inside a loop
SUITE
parallel BUG FIX Parallel command at Windows did not work
DISCUS
GENERAL Revised internal calculation to recognize molecules at read
Molecules far from the origin were not detected properly
fourier Lanczos filter did not work properly for 3D data
import Corrected lambda and qmin in refine/diffev setup
wyckoff Improved output to signal if the position is on a
secondary symmetry operation like a mirror plane at x=1/2
KUPLOT
smooth Lanczos filter did not work properly for 3D data

REFINE
newpara Added a 'move' parameter to the 'newpara' command to calculate
derivatives via an additive parameter change.