modified temper_grem example with more exchanges

2016-11-17 11:24:29 -05:00
parent 747c95c525
commit 4a3091f844
5 changed files with 2054 additions and 4054 deletions
--- a/examples/USER/misc/grem/lj-temper/in.gREM-temper
+++ b/examples/USER/misc/grem/lj-temper/in.gREM-temper
@ -1,7 +1,7 @@
 # LJ particles
-variable        lambda world 400 410 420 430
-variable        rep world 1 2 3 4
-#variable        walker world 1 2 3 4
+variable        lambda world 400 405 410 415
+variable        rep world 0 1 2 3 
+#variable        walker world 1 0 2 3

 variable        T0 equal 300.0
 variable        press equal 0.0
@ -21,6 +21,6 @@ fix             fxnpt all npt temp ${T0} ${T0} 1000.0 iso ${press} ${press} 1000
 fix             fxgREM all grem ${lambda} -.01 -30000 fxnpt
 thermo_modify   press fxgREM_press

-grem            10000 1000 ${lambda} fxgREM fxnpt 10294 98392 
+grem            5000 100 ${lambda} fxgREM fxnpt 10294 98392 #${walker}

 #write_data      lj-out.data
--- a/examples/USER/misc/grem/lj-temper/log.lammps.0
+++ b/examples/USER/misc/grem/lj-temper/log.lammps.0
--- a/examples/USER/misc/grem/lj-temper/log.lammps.1
+++ b/examples/USER/misc/grem/lj-temper/log.lammps.1
--- a/examples/USER/misc/grem/lj-temper/log.lammps.2
+++ b/examples/USER/misc/grem/lj-temper/log.lammps.2
--- a/examples/USER/misc/grem/lj-temper/log.lammps.3
+++ b/examples/USER/misc/grem/lj-temper/log.lammps.3