v.6.20.00
Fairly big update, several new features, some BUG Fixes
GENERAL
Changed warnings into blue color
Variables i[] and r[] can be used with a range of indices as in
r[1:10] = 0.0
r[ :10] = 0.0
r[1: ] = 0.0
Added system variables 'F_XMIN', 'F_XMAX', 'F_XSTP' and equivalent
for 'Y' and 'Z'
Their values are set to the data limits by the 'data' commands
in REFINE and DIFFEV
functions Added a lognormal function
DIFFEV
GENERAL Adapted diffev_best.mac to include 'data' command
data Added a 'data' command that creates variable F_XMIN, F_XMAX etc
purge Added a command to purge the initial generations from the logfiles.
DISCUS
import Added options to prepare a refine / diffev setup
save Added a unified HDF5 type structure format
DISCUS
GENERAL REPLACE command with several new atom types
GENERAL Most variables can be used with a range of indices as in
x[1:10] = 0.0
occ[ :10] = 0.0
b[1: ] = 0.0
export Added option to shift origin to "-1" at SHELX export
Added option to include wave length at SHELXL export
mmc Fixed "displacement correlation"
Added atom value correlation
output BUG FIX Powder output modified limits given in powder menu
powder Improved internal workings for convolution
BUG FIX, Preferred orientation and non-00l stacks needed to
be aligned as in 6.19.00
show Added display of "-1" location
super Added multiple waves from separate input files
Added interpretation of atomic value as phase
surface Extended options of 'set' to replace a shell by other atom types