rename some examples folders

2021-06-29 20:21:53 -04:00
parent 878795e64a
commit 9d208c9ebd
396 changed files with 32 additions and 20 deletions
--- a/examples/USER-MISC/imd/in.melt_imd-gpu
+++ b/examples/USER-MISC/imd/in.melt_imd-gpu
@ -0,0 +1,30 @@
+# 3d Lennard-Jones melt
+
+units		lj
+atom_style	atomic
+newton      off
+
+lattice		fcc 0.8442
+region		box block 0 10 0 10 0 10
+create_box	1 box
+create_atoms	1 box
+mass		1 1.0
+
+velocity	all create 3.0 87287
+
+pair_style	lj/cut/gpu 2.5
+pair_coeff	1 1 1.0 1.0 2.5
+
+neighbor	0.3 bin
+neigh_modify	every 5 delay 10 check yes
+
+thermo_style    custom step pe ke spcpu
+
+fix     0 all gpu force/neigh 0 0 1.0
+fix		1 all nve
+
+# IMD setup.
+fix  comm       all imd 5678 unwrap off fscale 20.0 trate 20 nowait on
+
+thermo		500
+run		5000000