Commit 1b9e50c8 authored by sjplimp's avatar sjplimp Committed by GitHub
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Merge pull request #331 from timattox/USER-DPD_fix_example_typo 

USER-DPD: fix a typo in the DPD-H example input; update reference output.
parents 252e07e0 d06688bb

examples/USER/dpd/dpdh-shardlow/in.dpdh-shardlow

+1 −1
Original line number Diff line number Diff line
@@ -18,7 +18,7 @@ neigh_modify every 1 delay 0 check no once no 
timestep        0.001



compute         dpdU all dpd

variable        totEnergy equal pe+ke+c_dpdU[1]+c_dpdU[1]+press*vol

variable        totEnergy equal pe+ke+c_dpdU[1]+c_dpdU[2]+press*vol



thermo          1

thermo_style    custom step temp press vol pe ke v_totEnergy cella cellb cellc

examples/USER/dpd/dpdh-shardlow/log.dpdh-shardlow.reference

+123 −115

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