updated thermo_modify in example

2017-06-14 13:11:54 -04:00
parent 3214d639aa
commit e7634a44f4
5 changed files with 4056 additions and 4065 deletions
--- a/examples/USER/misc/grem/lj-temper/0/log.lammps.0
+++ b/examples/USER/misc/grem/lj-temper/0/log.lammps.0
--- a/examples/USER/misc/grem/lj-temper/1/log.lammps.1
+++ b/examples/USER/misc/grem/lj-temper/1/log.lammps.1
--- a/examples/USER/misc/grem/lj-temper/2/log.lammps.2
+++ b/examples/USER/misc/grem/lj-temper/2/log.lammps.2
--- a/examples/USER/misc/grem/lj-temper/3/log.lammps.3
+++ b/examples/USER/misc/grem/lj-temper/3/log.lammps.3
--- a/examples/USER/misc/grem/lj-temper/in.gREM-temper
+++ b/examples/USER/misc/grem/lj-temper/in.gREM-temper
@ -20,13 +20,12 @@ read_data       ${rep}/lj.data

 fix             fxnpt all npt temp ${T0} ${T0} 1000.0 iso ${press} ${press} 10000.0 
 fix             fxgREM all grem ${lambda} -.03 -30000 fxnpt
-thermo_modify   press fxgREM_press

 thermo          10
 thermo_style    custom step temp f_fxgREM pe etotal press vol
+thermo_modify   press fxgREM_press
 timestep        1.0

-
-temper/grem            10000 100 ${lambda} fxgREM fxnpt 10294 98392 #${walker}
+temper/grem     10000 100 ${lambda} fxgREM fxnpt 10294 98392 #${walker}

 #write_data      ${rep}/lj-out.data