diff --git a/doc/src/dump_modify.txt b/doc/src/dump_modify.txt index 994e9fea3c..63a3476d30 100644 --- a/doc/src/dump_modify.txt +++ b/doc/src/dump_modify.txt @@ -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 +\ :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