From 3b5f84c3f064de86cc27659da1335d4da2a6adbf Mon Sep 17 00:00:00 2001 From: sjplimp Date: Wed, 2 Sep 2009 20:56:46 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3141 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/dump.html | 2 +- doc/dump.txt | 2 +- doc/dump_modify.html | 10 +++++++++- doc/dump_modify.txt | 10 +++++++++- 4 files changed, 20 insertions(+), 4 deletions(-) diff --git a/doc/dump.html b/doc/dump.html index 5291ee4393..c9f99951bc 100644 --- a/doc/dump.html +++ b/doc/dump.html @@ -101,7 +101,7 @@ collected from multiple processors. This is always the case for the the dcd and xtc styles which always write atoms in sorted order. So does the xyz style if the dump group is all. The cfg style supports the sort option of the dump_modify -command which allows for allows sorting to be turned on or off. +command which allows sorting to be turned on or off.


diff --git a/doc/dump.txt b/doc/dump.txt index fd6e0b0787..537ad34fbb 100644 --- a/doc/dump.txt +++ b/doc/dump.txt @@ -91,7 +91,7 @@ collected from multiple processors. This is always the case for the the {dcd} and {xtc} styles which always write atoms in sorted order. So does the {xyz} style if the dump group is {all}. The {cfg} style supports the {sort} option of the "dump_modify"_dump_modify.html -command which allows for allows sorting to be turned on or off. +command which allows sorting to be turned on or off. :line diff --git a/doc/dump_modify.html b/doc/dump_modify.html index 080047c6d3..be1b3caab4 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 = every or flush or format or image or precision or region or scale or thresh or unwrap +
  • keyword = every or flush or format or image or precision or region or scale or sort or thresh or unwrap
      element args = E1 E2 ... EN, where N = # of atom types
         E1,...,EN = element name, e.g. C or Fe or Ga
    @@ -31,6 +31,7 @@
       precision arg = power-of-10 value from 10 to 1000000
       region arg = region-ID or "none"
       scale arg = yes or no
    +  sort arg = yes or no
       thresh args = attribute operation value
         attribute = same attributes (x,fy,etotal,sxx,etc) used by dump custom style
         operation = "<" or "<=" or ">" or ">=" or "==" or "!="
    @@ -110,6 +111,12 @@ value of yes means atom coords are written in normalized units from
     value of no means they are written in absolute distance units
     (e.g. Angstroms or sigma).
     

    +

    The sort keyword applies only to the dump cfg style. A sort value +of yes means atoms will be written into the CFG file in sorted +order, sorted by the atom ID. A value of no means a sort will not +be performed and that atoms may be in an indeterminate order, +depending on which processor owns which atoms. +

    The thresh keyword only applies to the dump custom and cfg styles. Multiple thresholds can be specified. Specifying "none" turns off all threshold criteria. If thresholds are specified, only @@ -147,6 +154,7 @@ box size stored with the snapshot.

  • precision = 1000
  • region = none
  • scale = yes +
  • sort = no
  • thresh = none
  • unwrap = no diff --git a/doc/dump_modify.txt b/doc/dump_modify.txt index 6a579b73d7..4689c296c1 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 = {every} or {flush} or {format} or {image} or {precision} or {region} or {scale} or {thresh} or {unwrap} :l +keyword = {every} or {flush} or {format} or {image} or {precision} or {region} or {scale} or {sort} or {thresh} or {unwrap} :l {element} args = E1 E2 ... EN, where N = # of atom types E1,...,EN = element name, e.g. C or Fe or Ga {every} arg = N @@ -25,6 +25,7 @@ keyword = {every} or {flush} or {format} or {image} or {precision} or {region} o {precision} arg = power-of-10 value from 10 to 1000000 {region} arg = region-ID or "none" {scale} arg = {yes} or {no} + {sort} arg = {yes} or {no} {thresh} args = attribute operation value attribute = same attributes (x,fy,etotal,sxx,etc) used by dump custom style operation = "<" or "<=" or ">" or ">=" or "==" or "!=" @@ -103,6 +104,12 @@ value of {yes} means atom coords are written in normalized units from value of {no} means they are written in absolute distance units (e.g. Angstroms or sigma). +The {sort} keyword applies only to the dump {cfg} style. A sort value +of {yes} means atoms will be written into the CFG file in sorted +order, sorted by the atom ID. A value of {no} means a sort will not +be performed and that atoms may be in an indeterminate order, +depending on which processor owns which atoms. + The {thresh} keyword only applies to the dump {custom} and {cfg} styles. Multiple thresholds can be specified. Specifying "none" turns off all threshold criteria. If thresholds are specified, only @@ -140,5 +147,6 @@ image = no precision = 1000 region = none scale = yes +sort = no thresh = none unwrap = no :ul