Commit e7634a44 authored by dstelter92's avatar dstelter92
Browse files

updated thermo_modify in example

parent 3214d639
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+1014 −1016

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+1013 −1015

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+1014 −1016

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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