Fixing example input scripts with mode multi

This commit is contained in:
Joel Clemmer 2021-02-16 10:24:15 -07:00
parent 58e4938b0f
commit 039ed4c750
4 changed files with 5 additions and 4 deletions

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@ -34,7 +34,7 @@ Examples
comm_modify mode multi reduce/multi
comm_modify mode multi group solvent
comm_modift mode multi cutoff/multi 1 10.0 cutoff/multi 2*4 15.0
comm_modift mode multi cutoff/multi 0 10.0 cutoff/multi 2*4 15.0
comm_modify vel yes
comm_modify mode single cutoff 5.0 vel yes
comm_modify cutoff/multi * 0.0
@ -101,6 +101,7 @@ communication mode *multi* instead. Since the communication
cutoffs are determined per atom collections, a collection specifier is needed and
cutoff for one or multiple collections can be extended. Also ranges of collections
using the usual asterisk notation can be given.
Collections are indexed from 0 to N-1 where N is the total number of collections.
Note that the arguments for *cutoff/multi* are parsed right before each
simulation to account for potential changes in the number of collections.
Custom cutoffs are preserved between runs but if collections are redefined,

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@ -86,7 +86,7 @@ pair_style gran/hertz/history &
${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1
pair_coeff * *
neighbor ${skin} bin
neighbor ${skin} multi
thermo ${logfreq}
comm_style brick

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@ -49,7 +49,7 @@ pair_style gran/hertz/history &
${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1
pair_coeff * *
neighbor ${skin} bin
neighbor ${skin} multi
thermo ${logfreq}
comm_style brick

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@ -62,7 +62,7 @@ delete_atoms overlap 0.5 small big
reset_timestep 0
neighbor 0.3 bin
neighbor 0.3 multi
neigh_modify delay 0 every 1 check yes
comm_modify mode multi group big vel yes