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Commit ae2d4303 authored by Rene Halver's avatar Rene Halver
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added pressure output, to compare results with global virial (with internal PPPM)

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examples/USER/scafacos/in.scafacos.cw.ewald
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View file @ ae2d4303
......@@ -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
......
examples/USER/scafacos/in.scafacos.cw.fmm
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View file @ ae2d4303
......@@ -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
......
examples/USER/scafacos/in.scafacos.cw.p2nfft
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View file @ ae2d4303
......@@ -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
......
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