Skip to content

v.6.05.00

Compare
Choose a tag to compare
@rneder rneder released this 20 Jan 09:10
· 1395 commits to master since this release

This is a good sized update:

DIFFEV
FIXED BUG constraint rules were not working

DISCUS
Added "xplor" file format for 3-D maps (intensity, 3DPDF etc.)
Added 'range' command to output to limit extend of maps for "xplor"
Fixed use of "set vec" into neighborhoods with vectors starting
at several (symmetrically equivalent) sites.

KUPLOT
Added a double peak Pseudo-Voigt function for Kalpha1,2 radiation
as general function and as fit function.

REFINE, KUPLOT
Added a global storage to exchange data, especially calculated derivatives

General
Added a (double-peak) Pseduo-Voigt function
Added a function to determine the number associated to a Refine
parameter name. Used for the calculated derivatives
The Linux installation scripts include a check for the "curl" program
The MacOS installation has a minor update related to the changed brew syntax