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.

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.
1b9e50c8 · sjplimp · GitHub · 252e07e0 · d06688bb · 1b9e50c8
Commit 1b9e50c8 authored 8 years ago by sjplimp Committed by GitHub 8 years ago
--- a/examples/USER/dpd/dpdh-shardlow/in.dpdh-shardlow
+++ b/examples/USER/dpd/dpdh-shardlow/in.dpdh-shardlow
@@ -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

--- a/examples/USER/dpd/dpdh-shardlow/log.dpdh-shardlow.reference
+++ b/examples/USER/dpd/dpdh-shardlow/log.dpdh-shardlow.reference