From 514bfe77dfee01462d9d225ab88af3981d56918a Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 29 Apr 2022 17:33:37 -0400 Subject: [PATCH] apply changes suggested by @sjplimp --- doc/src/fix_ave_time.rst | 18 ++++++++++-------- doc/src/fix_modify.rst | 17 ++++++++--------- 2 files changed, 18 insertions(+), 17 deletions(-) diff --git a/doc/src/fix_ave_time.rst b/doc/src/fix_ave_time.rst index 4b25e7c174..674a431e0d 100644 --- a/doc/src/fix_ave_time.rst +++ b/doc/src/fix_ave_time.rst @@ -261,13 +261,15 @@ column of numbers for each input value. For *mode* = vector, an array of numbers is written each time output is performed. The number of rows is the length of the input vectors, and the number of columns is the number of values. Thus the file ends up to be a series of these array -sections. If the filename ends in '.yaml' or '.yml' then the output -format is conforming to the `YAML standard `_ which -allows to easily import that data into tools and scripts that support -reading YAML files. The :doc:`structured data Howto -` contains examples for parsing and plotting such -data with very little programming effort in Python using the *pyyaml*, -*pandas*, and *matplotlib* packages. +sections. + +If the filename ends in '.yaml' or '.yml' then the output format +conforms to the `YAML standard `_ which allows +easy import that data into tools and scripts that support reading YAML +files. The :doc:`structured data Howto ` contains +examples for parsing and plotting such data with very little programming +effort in Python using the *pyyaml*, *pandas*, and *matplotlib* +packages. The *overwrite* keyword will continuously overwrite the output file with the latest output, so that it only contains one timestep worth of @@ -314,7 +316,7 @@ Restart, fix_modify, output, run start/stop, minimize info """"""""""""""""""""""""""""""""""""""""""""""""""""""""""" No information about this fix is written to :doc:`binary restart files -`. The :doc:`fix_modify colname ` options can be +`. The :doc:`fix_modify colname ` option can be used to change the name of the column in the output file. When writing a YAML format file this name will be in the list of keywords. diff --git a/doc/src/fix_modify.rst b/doc/src/fix_modify.rst index 9f5f0b3d90..e0cf3a34c7 100644 --- a/doc/src/fix_modify.rst +++ b/doc/src/fix_modify.rst @@ -12,24 +12,23 @@ Syntax * fix-ID = ID of the fix to modify * one or more keyword/value pairs may be appended -* keyword = *temp* or *press* or *energy* or *virial* or *respa* or *dynamic/dof* or *bodyforces* or *colname* +* keyword = *bodyforces* or *colname* or *dynamic/dof* or *energy* or *press* or *respa* or *temp* or *virial* .. parsed-literal:: - *temp* value = compute ID that calculates a temperature - *press* value = compute ID that calculates a pressure - *energy* value = *yes* or *no* - *virial* value = *yes* or *no* - *respa* value = *1* to *max respa level* or *0* (for outermost level) - *dynamic/dof* value = *yes* or *no* - yes/no = do or do not re-compute the number of degrees of freedom (DOF) contributing to the temperature *bodyforces* value = *early* or *late* early/late = compute rigid-body forces/torques early or late in the timestep *colname* values = ID string string = new column header name ID = integer from 1 to N, or integer from -1 to -N, where N = # of quantities being output *or* a fix output property keyword or reference to compute, fix, property or variable. - + *dynamic/dof* value = *yes* or *no* + yes/no = do or do not re-compute the number of degrees of freedom (DOF) contributing to the temperature + *energy* value = *yes* or *no* + *press* value = compute ID that calculates a pressure + *respa* value = *1* to *max respa level* or *0* (for outermost level) + *temp* value = compute ID that calculates a temperature + *virial* value = *yes* or *no* Examples """"""""