Commit e7634a44 authored by dstelter92's avatar dstelter92
Browse files

updated thermo_modify in example

parent 3214d639

examples/USER/misc/grem/lj-temper/0/log.lammps.0

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examples/USER/misc/grem/lj-temper/1/log.lammps.1

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examples/USER/misc/grem/lj-temper/2/log.lammps.2

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examples/USER/misc/grem/lj-temper/3/log.lammps.3

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examples/USER/misc/grem/lj-temper/in.gREM-temper

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Original line number Diff line number Diff line
@@ -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}



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

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