add docs for dump_modify time yes. consolidate keywords

This commit is contained in:
Axel Kohlmeyer
2019-09-30 11:01:41 -04:00
parent 5d88e12583
commit 6cd460072b

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@ -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