From 55bfda11e43c9f05fb53dccca7ea93f5a2b0a9a6 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Thu, 17 Dec 2009 23:42:38 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3566 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/dump_modify.html | 16 +++++++++++++++- doc/dump_modify.txt | 16 +++++++++++++++- 2 files changed, 30 insertions(+), 2 deletions(-) diff --git a/doc/dump_modify.html b/doc/dump_modify.html index 769b4a908c..3f964ecb12 100644 --- a/doc/dump_modify.html +++ b/doc/dump_modify.html @@ -19,7 +19,7 @@
  • one or more keyword/value pairs may be appended -
  • keyword = append or every or flush or format or image or precision or region or scale or sort or thresh or unwrap +
  • keyword = append or every or flush or format or image or label or precision or region or scale or sort or thresh or unwrap
      append arg = yes or no
       element args = E1 E2 ... EN, where N = # of atom types
    @@ -29,6 +29,8 @@
       format arg = C-style format string for one line of 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
       precision arg = power-of-10 value from 10 to 1000000
       region arg = region-ID or "none"
       scale arg = yes or no
    @@ -103,6 +105,17 @@ current coordinate.  Note that for dump style custom these various
     values can be printed in the dump file by using the appropriate atom
     attributes in the dump command itself.
     

    +

    The label keyword applies only to the dump local style. When +it writes local informatoin, such as bond or angle topology +to a dump file, it will use the specified label to format +the header. By default this includes 2 lines: +

    +
    ITEM: NUMBER OF ENTRIES
    +ITEM: ENTRIES ... 
    +
    +

    The word "ENTRIES" will be replaced with the string specified, +e.g. BONDS or ANGLES. +

    The precision keyword only applies to the dump xtc style. A specified value of N means that coordinates are stored to 1/N nanometer accuracy, e.g. for N = 1000, the coordinates are written to @@ -164,6 +177,7 @@ box size stored with the snapshot.

  • flush = yes (except for the dump xtc style)
  • format = %d and %g for each integer or floating point value
  • image = no +
  • label = ENTRIES
  • precision = 1000
  • region = none
  • scale = yes diff --git a/doc/dump_modify.txt b/doc/dump_modify.txt index 38ca0bd261..71074a693d 100644 --- a/doc/dump_modify.txt +++ b/doc/dump_modify.txt @@ -14,7 +14,7 @@ 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 -keyword = {append} or {every} or {flush} or {format} or {image} or {precision} or {region} or {scale} or {sort} or {thresh} or {unwrap} :l +keyword = {append} or {every} or {flush} or {format} or {image} or {label} or {precision} or {region} or {scale} or {sort} or {thresh} or {unwrap} :l {append} arg = {yes} or {no} {element} args = E1 E2 ... EN, where N = # of atom types E1,...,EN = element name, e.g. C or Fe or Ga @@ -23,6 +23,8 @@ keyword = {append} or {every} or {flush} or {format} or {image} or {precision} o {format} arg = C-style format string for one line of 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 {precision} arg = power-of-10 value from 10 to 1000000 {region} arg = region-ID or "none" {scale} arg = {yes} or {no} @@ -96,6 +98,17 @@ current coordinate. Note that for dump style {custom} these various values can be printed in the dump file by using the appropriate atom attributes in the dump command itself. +The {label} keyword applies only to the dump {local} style. When +it writes local informatoin, such as bond or angle topology +to a dump file, it will use the specified {label} to format +the header. By default this includes 2 lines: + +ITEM: NUMBER OF ENTRIES +ITEM: ENTRIES ... :pre + +The word "ENTRIES" will be replaced with the string specified, +e.g. BONDS or ANGLES. + The {precision} keyword only applies to the dump {xtc} style. A specified value of N means that coordinates are stored to 1/N nanometer accuracy, e.g. for N = 1000, the coordinates are written to @@ -157,6 +170,7 @@ every = whatever it was set to via the "dump"_dump.html command flush = yes (except for the dump {xtc} style) format = %d and %g for each integer or floating point value image = no +label = ENTRIES precision = 1000 region = none scale = yes