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added pressure output, to compare results with global virial (with internal PPPM)

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Rene Halver
2018-07-23 16:25:02 -06:00
parent 1b7af5d93b
commit ae2d43031b
3 changed files with 3 additions and 3 deletions
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2
examples/USER/scafacos/in.scafacos.cw.ewald
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@ -18,7 +18,7 @@ kspace_modify scafacos tolerance field
timestep 0.005
thermo_style custom step atoms cpu temp pe ke etotal ecoul
thermo_style custom step atoms cpu temp pe ke etotal ecoul press
run_style verlet

2
examples/USER/scafacos/in.scafacos.cw.fmm
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@ -24,7 +24,7 @@ kspace_modify scafacos fmm_tuning 1
timestep 0.005
thermo_style custom step atoms cpu temp pe ke etotal ecoul
thermo_style custom step atoms cpu temp pe ke etotal ecoul press
run_style verlet

2
examples/USER/scafacos/in.scafacos.cw.p2nfft
View File

@ -18,7 +18,7 @@ kspace_modify scafacos tolerance field
timestep 0.005
thermo_style custom step atoms cpu temp pe ke etotal ecoul
thermo_style custom step atoms cpu temp pe ke etotal ecoul press
run_style verlet