keyword = scale or tally +keyword = scale or tally or zero scale values = type ratio type = atom type (1-N) ratio = factor by which to scale the damping coefficient @@ -35,6 +35,10 @@ no = do not tally the energy added/subtracted to atoms yes = do tally the energy added/subtracted to atoms+zero value = no or yes + no = do not set total random force to zero + yes = set total random force to zero +Examples: diff --git a/doc/fix_langevin_eff.txt b/doc/fix_langevin_eff.txt index a6806a39cd..7d1253dabb 100644 --- a/doc/fix_langevin_eff.txt +++ b/doc/fix_langevin_eff.txt @@ -18,13 +18,16 @@ Tstart,Tstop = desired temperature at start/end of run (temperature units) :l damp = damping parameter (time units) :l seed = random number seed to use for white noise (positive integer) :l zero or more keyword/value pairs may be appended :l -keyword = {scale} or {tally} +keyword = {scale} or {tally} or {zero} {scale} values = type ratio type = atom type (1-N) ratio = factor by which to scale the damping coefficient {tally} values = {no} or {yes} {no} = do not tally the energy added/subtracted to atoms {yes} = do tally the energy added/subtracted to atoms :pre + {zero} value = {no} or {yes} + {no} = do not set total random force to zero + {yes} = set total random force to zero :pre :ule [Examples:]