From 035ca97ea10e2f305066f16735e3460e3297f42f Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Sat, 10 Sep 2022 04:53:00 -0400 Subject: [PATCH] move colname section --- doc/src/dump_modify.rst | 53 ++++++++++++++++++++++------------------- 1 file changed, 29 insertions(+), 24 deletions(-) diff --git a/doc/src/dump_modify.rst b/doc/src/dump_modify.rst index ecde13f525..3d79ae0101 100644 --- a/doc/src/dump_modify.rst +++ b/doc/src/dump_modify.rst @@ -176,6 +176,31 @@ extra buffering. ---------- +.. versionadded:: 4May2022 + +The *colname* keyword can be used to change the default header keyword +for dump styles: *atom*, *custom*, and *cfg* and their compressed, ADIOS, +and MPIIO variants. The setting for *ID string* replaces the default +text with the provided string. *ID* can be a positive integer when it +represents the column number counting from the left, a negative integer +when it represents the column number from the right (i.e. -1 is the last +column/keyword), or a custom dump keyword (or compute, fix, property, or +variable reference) and then it replaces the string for that specific +keyword. For *atom* dump styles only the keywords "id", "type", "x", +"y", "z", "ix", "iy", "iz" can be accessed via string regardless of +whether scaled or unwrapped coordinates were enabled or disabled, and +it always assumes 8 columns for indexing regardless of whether image +flags are enabled or not. For dump style *cfg* only changes to the +"auxiliary" keywords (6th or later keyword) will become visible. + +The *colname* keyword can be used multiple times. If multiple *colname* +settings refer to the same keyword, the last setting has precedence. A +setting of *default* clears all previous settings, reverting all values +to their default names. Using the *scale* or *image* keyword will also +reset all header keywords to their default values. + +---------- + The *delay* keyword applies to all dump styles. No snapshots will be output until the specified *Dstep* timestep or later. Specifying *Dstep* < 0 is the same as turning off the delay setting. This is a @@ -388,30 +413,6 @@ performed with dump style *xtc*\ . ---------- -.. versionadded:: 4May2022 - -The *colname* keyword can be used to change the default header keyword -for dump styles: *atom*, *custom*, and *cfg* and their compressed, ADIOS, -and MPIIO variants. The setting for *ID string* replaces the default -text with the provided string. *ID* can be a positive integer when it -represents the column number counting from the left, a negative integer -when it represents the column number from the right (i.e. -1 is the last -column/keyword), or a custom dump keyword (or compute, fix, property, or -variable reference) and then it replaces the string for that specific -keyword. For *atom* dump styles only the keywords "id", "type", "x", -"y", "z", "ix", "iy", "iz" can be accessed via string regardless of -whether scaled or unwrapped coordinates were enabled or disabled, and -it always assumes 8 columns for indexing regardless of whether image -flags are enabled or not. For dump style *cfg* only changes to the -"auxiliary" keywords (6th or later keyword) will become visible. - -The *colname* keyword can be used multiple times. If multiple *colname* -settings refer to the same keyword, the last setting has precedence. A -setting of *default* clears all previous settings, reverting all values -to their default names. - ----------- - The *format* keyword can be used to change the default numeric format output by the text-based dump styles: *atom*, *local*, *custom*, *cfg*, and *xyz* styles, and their MPIIO variants. Only the *line* or *none* @@ -498,6 +499,8 @@ boundary twice and is really two box lengths to the left of its 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. +Using this keyword will reset all custom header names set with +*dump_modify colname* to their respective default values. ---------- @@ -671,6 +674,8 @@ value of *yes* means atom coords are written in normalized units from (tilted), then all atom coords will still be between 0.0 and 1.0. A value of *no* means they are written in absolute distance units (e.g., :math:`\mathrm{\mathring A}` or :math:`\sigma`). +Using this keyword will reset all custom header names set with +*dump_modify colname* to their respective default values. ----------