fixed the input for the example

This commit is contained in:
Ronald E. Miller
2018-11-29 20:06:36 -05:00
parent 4d06e11cfd
commit 01f47c4450

View File

@ -29,7 +29,7 @@ fix 1 all npt/cauchy temp 600.0 600.0 1.0 &
x 0.0 0.0 0.1 &
y 0.0 0.0 0.1 &
z 0.0 0.0 0.1 &
couple none cauchystat 0.001 no
couple none alpha 0.001 continue no
# dump 1 all cfg 1000 test*.cfg mass type xs ys zs type c_cna
@ -62,22 +62,13 @@ run 10000
info fixes
fix 1 all npt/cauchy temp 600.0 600.0 1.0 &
x 0.0 0.0 0.1 &
y 0.0 0.0 0.1 &
z 0.0 0.0 0.1 &
xy -10000.0 -10000.0 0.1 &
couple none alpha 0.001 continue no
info fixes
run 10000
fix 1 all npt/cauchy temp 600.0 600.0 1.0 &
x 0.0 0.0 0.1 &
y 0.0 0.0 0.1 &
z 0.0 0.0 0.1 &
xy -10000.0 -10000.0 0.1 &
couple none alpha 0.001 continue yes
info fixes
run 10000