more then 1000 atoms in inp file still causes problem
Currently if you run the inpgen with '-explicit' there cannot be more then 1000 atoms in the regular inp file. leading to an error. This should be fixed. I did not check if this holds for the normal version.
from inp:
... pbe non-relativi igrd=1,lwb=F,ndvgrd=6,idsprs=0,chng=-0.100D-11 *** ********************************** Yb 70 17 10 925 2.800000 0.014000 1,force =T,nlo= 0,llo= ...
error:
forrtl: info (58): format syntax error at or near *** i3 ) forrtl: severe (62): syntax error in format, unit 5, file /Users/broeder/aiida/scratch/0d/99/1302-1553-4c0a-9f98-f97fbffeed30/inp Image PC Routine Line Source fleur_inpgen_mac 0000000106F4D2F1 Unknown Unknown Unknown fleur_inpgen_mac 0000000106FA2632 Unknown Unknown Unknown fleur_inpgen_mac 0000000106F05346 Unknown Unknown Unknown fleur_inpgen_mac 0000000106EFF229 Unknown Unknown Unknown fleur_inpgen_mac 0000000106EF769D Unknown Unknown Unknown fleur_inpgen_mac 0000000106E9061E Unknown Unknown Unknown