Native CREST 3.0.3 NUMGRAD, reactor setup and old real-MD topology analysis.
bash read.sh; bash plot.sh
Private build on allocated CPU: bash build-private.sh; new native calls: bash submit.sh.
Reactor setup generates text; native --reactor here analyzes provided xtb.trj and is not itself an MD integrator. Density parameter uses m/r^3; physical sphere density differs by 3/(4*pi).
