LaboratorioSimulacion2

GDR

cell crystal a=34.2382 b=34.2382 c=342.382 alpha=90.0 beta=90.0 gamma=90.0
input module=lpmd file=sw-coloress.lpmd level=1 external=ignore outside=true
periodic false false false
set optimize-simulation false

filter box x=0-34.2382 y=0-34.2382 z=17.1191-51.3573

use gdr
    bins 200
    rcut 15
    output gdr.dat
    average false
enduse

use linkedcell
 mode auto
 cutoff 20
enduse

cellmanager linkedcell
property gdr start=0 end=59 each=2

University

Personal

edit SideBar