Unverified Commit 6cd46007 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

add docs for dump_modify time yes. consolidate keywords

parent 5d88e125
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+22 −5
Original line number Diff line number Diff line
@@ -15,7 +15,7 @@ dump_modify dump-ID keyword values ... :pre
dump-ID = ID of dump to modify :ulb,l
one or more keyword/value pairs may be appended :l
these keywords apply to various dump styles :l
keyword = {append} or {at} or {buffer} or {delay} or {element} or {every} or {fileper} or {first} or {flush} or {format} or {image} or {label} or {maxfiles} or {nfile} or {pad} or {precision} or {region} or {scale} or {sort} or {thresh} or {unwrap} :l
keyword = {append} or {at} or {buffer} or {delay} or {element} or {every} or {fileper} or {first} or {flush} or {format} or {image} or {label} or {maxfiles} or {nfile} or {pad} or {pbc} or {precision} or {region} or {refresh} or {scale} or {sfactor} or {sort} or {tfactor} or {thermo} or {thresh} or {time} or {units} or {unwrap} :l
  {append} arg = {yes} or {no}
  {at} arg = N
    N = index of frame written upon first dump
@@ -30,10 +30,10 @@ keyword = {append} or {at} or {buffer} or {delay} or {element} or {every} or {fi
  {fileper} arg = Np
    Np = write one file for every this many processors
  {first} arg = {yes} or {no}
  {flush} arg = {yes} or {no}
  {format} args = {line} string, {int} string, {float} string, M string, or {none}
    string = C-style format string
    M = integer from 1 to N, where N = # of per-atom quantities being output
  {flush} arg = {yes} or {no}
  {image} arg = {yes} or {no}
  {label} arg = string
    string = character string (e.g. BONDS) to use in header of dump local file
@@ -48,19 +48,20 @@ keyword = {append} or {at} or {buffer} or {delay} or {element} or {every} or {fi
  {refresh} arg = c_ID = compute ID that supports a refresh operation
  {scale} arg = {yes} or {no}
  {sfactor} arg = coordinate scaling factor (> 0.0)
  {thermo} arg = {yes} or {no}
  {tfactor} arg = time scaling factor (> 0.0)
  {units} arg = {yes} or {no}
  {sort} arg = {off} or {id} or N or -N
     off = no sorting of per-atom lines within a snapshot
     id = sort per-atom lines by atom ID
     N = sort per-atom lines in ascending order by the Nth column
     -N = sort per-atom lines in descending order by the Nth column
  {tfactor} arg = time scaling factor (> 0.0)
  {thermo} arg = {yes} or {no}
  {time} arg = {yes} or {no}
  {thresh} args = attribute operator value
    attribute = same attributes (x,fy,etotal,sxx,etc) used by dump custom style
    operator = "<" or "<=" or ">" or ">=" or "==" or "!=" or "|^"
    value = numeric value to compare to, or LAST
    these 3 args can be replaced by the word "none" to turn off thresholding
  {units} arg = {yes} or {no}
  {unwrap} arg = {yes} or {no} :pre
these keywords apply only to the {image} and {movie} "styles"_dump_image.html :l
keyword = {acolor} or {adiam} or {amap} or {backcolor} or {bcolor} or {bdiam} or {boxcolor} or {color} or {bitrate} or {framerate} :l
@@ -621,6 +622,22 @@ threshold criterion is met. Otherwise it is not met.

:line

The {time} keyword only applies to the dump {atom}, {custom}, and
{local} styles (and their COMPRESS package versions {atom/gz},
{custom/gz} and {local/gz}). If set to {yes}, each frame will will
contain two extra lines before the "ITEM: TIMESTEP" entry:

ITEM: TIME
\<elapsed time\> :pre

This will output the current elapsed simulation time in current
time units equivalent to the "thermo keyword"_thermo_style.html {time}.
This is to simplify post-processing of trajectories using a variable time
step, e.g. when using "fix dt/reset"_fix_dt_reset.html.
The default setting is {no}.

:line

The {units} keyword only applies to the dump {atom}, {custom}, and
{local} styles (and their COMPRESS package versions {atom/gz},
{custom/gz} and {local/gz}). If set to {yes}, each individual dump