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