From 7fe9d103625cd2b8d177fa978d10fe19fda31b8a Mon Sep 17 00:00:00 2001
From: sjplimp type arg = auto or upper or lower or auto/upper or auto/lower or full
auto = correlate each value with itself
@@ -55,6 +55,7 @@
value = prefactor to scale all the correlation data by
file arg = filename
filename = name of file to output correlation data to
+ overwrite arg = none = overwrite output file with only latest output
title1 arg = string
string = text to print as 1st line of output file
title2 arg = string
@@ -245,6 +246,10 @@ number of rows is Nrepeat, as described above. The number of
columns is the Npair+2, also as described above. Thus the file ends
up to be a series of these array sections.
The overwrite keyword will continuously overwrite the output file +with the latest output, so that it only contains one timestep worth of +output. This option can only be used with the ave running setting. +
The title1 and title2 and title3 keywords allow specification of the strings that will be printed as the first 3 lines of the output file, assuming the file keyword was used. LAMMPS uses default diff --git a/doc/fix_ave_correlate.txt b/doc/fix_ave_correlate.txt index cf792ee112..47036af03f 100644 --- a/doc/fix_ave_correlate.txt +++ b/doc/fix_ave_correlate.txt @@ -26,7 +26,7 @@ value = c_ID, c_ID\[N\], f_ID, f_ID\[N\], v_name :l v_name = global value calculated by an equal-style variable with name :pre zero or more keyword/arg pairs may be appended :l -keyword = {type} or {ave} or {start} or {prefactor} or {file} or {title1} or {title2} or {title3} :l +keyword = {type} or {ave} or {start} or {prefactor} or {file} or {overwrite} or {title1} or {title2} or {title3} :l {type} arg = {auto} or {upper} or {lower} or {auto/upper} or {auto/lower} or {full} auto = correlate each value with itself upper = correlate each value with each succeeding value @@ -43,6 +43,7 @@ keyword = {type} or {ave} or {start} or {prefactor} or {file} or {title1} or {ti value = prefactor to scale all the correlation data by {file} arg = filename filename = name of file to output correlation data to + {overwrite} arg = none = overwrite output file with only latest output {title1} arg = string string = text to print as 1st line of output file {title2} arg = string @@ -232,6 +233,10 @@ number of rows is {Nrepeat}, as described above. The number of columns is the Npair+2, also as described above. Thus the file ends up to be a series of these array sections. +The {overwrite} keyword will continuously overwrite the output file +with the latest output, so that it only contains one timestep worth of +output. This option can only be used with the {ave running} setting. + The {title1} and {title2} and {title3} keywords allow specification of the strings that will be printed as the first 3 lines of the output file, assuming the {file} keyword was used. LAMMPS uses default diff --git a/doc/fix_ave_histo.html b/doc/fix_ave_histo.html index ee99ee5236..64a299a4e5 100644 --- a/doc/fix_ave_histo.html +++ b/doc/fix_ave_histo.html @@ -42,7 +42,7 @@
mode arg = scalar or vector scalar = all input values are scalars @@ -59,6 +59,7 @@ ignore = ignore values outside histogram lo/hi bounds end = count values outside histogram lo/hi bounds in end bins extra = create 2 extra bins for value outside histogram lo/hi bounds + overwrite arg = none = overwrite output file with only latest output title1 arg = string string = text to print as 1st line of output file title2 arg = string @@ -266,6 +267,10 @@ normalized count is the bin count divided by the total count (not including values not histogrammed), so that the normalized values sum to 1.0 across all bins. +The overwrite keyword will continuously overwrite the output file +with the latest output, so that it only contains one timestep worth of +output. This option can only be used with the ave running setting. +
The title1 and title2 and title3 keywords allow specification of the strings that will be printed as the first 3 lines of the output file, assuming the file keyword was used. LAMMPS uses default diff --git a/doc/fix_ave_histo.txt b/doc/fix_ave_histo.txt index 7f009eba04..1d7a1d6163 100644 --- a/doc/fix_ave_histo.txt +++ b/doc/fix_ave_histo.txt @@ -29,7 +29,7 @@ value = x, y, z, vx, vy, vz, fx, fy, fz, c_ID, c_ID\[N\], f_ID, f_ID\[N\], v_nam v_name = value(s) calculated by an equal-style or atom-style variable with name :pre zero or more keyword/arg pairs may be appended :l -keyword = {mode} or {file} or {ave} or {start} or {beyond} or {title1} or {title2} or {title3} :l +keyword = {mode} or {file} or {ave} or {start} or {beyond} or {overwrite} or {title1} or {title2} or {title3} :l {mode} arg = {scalar} or {vector} scalar = all input values are scalars vector = all input values are vectors @@ -45,6 +45,7 @@ keyword = {mode} or {file} or {ave} or {start} or {beyond} or {title1} or {title ignore = ignore values outside histogram lo/hi bounds end = count values outside histogram lo/hi bounds in end bins extra = create 2 extra bins for value outside histogram lo/hi bounds + {overwrite} arg = none = overwrite output file with only latest output {title1} arg = string string = text to print as 1st line of output file {title2} arg = string @@ -251,6 +252,10 @@ normalized count is the bin count divided by the total count (not including values not histogrammed), so that the normalized values sum to 1.0 across all bins. +The {overwrite} keyword will continuously overwrite the output file +with the latest output, so that it only contains one timestep worth of +output. This option can only be used with the {ave running} setting. + The {title1} and {title2} and {title3} keywords allow specification of the strings that will be printed as the first 3 lines of the output file, assuming the {file} keyword was used. LAMMPS uses default diff --git a/doc/fix_ave_spatial.html b/doc/fix_ave_spatial.html index 82b446bd34..477afc51c2 100644 --- a/doc/fix_ave_spatial.html +++ b/doc/fix_ave_spatial.html @@ -45,7 +45,7 @@
units arg = box or lattice or reduced norm arg = all or sample @@ -57,6 +57,7 @@ window M = output average of M most recent Nfreq steps file arg = filename filename = file to write results to + overwrite arg = none = overwrite output file with only latest output title1 arg = string string = text to print as 1st line of output file title2 arg = string @@ -293,6 +294,10 @@ quantities. If the value of the units keyword is box or units keyword is reduced, the "coord" is printed in reduced units (0-1). +The overwrite keyword will continuously overwrite the output file +with the latest output, so that it only contains one timestep worth of +output. This option can only be used with the ave running setting. +
The title1 and title2 and title3 keywords allow specification of the strings that will be printed as the first 3 lines of the output file, assuming the file keyword was used. LAMMPS uses default diff --git a/doc/fix_ave_spatial.txt b/doc/fix_ave_spatial.txt index a9e6f16d1d..3c251c4a04 100644 --- a/doc/fix_ave_spatial.txt +++ b/doc/fix_ave_spatial.txt @@ -32,7 +32,7 @@ value = vx, vy, vz, fx, fy, fz, density/mass, density/number, c_ID, c_ID\[I\], f v_name = per-atom vector calculated by an atom-style variable with name :pre zero or more keyword/arg pairs may be appended :l -keyword = {norm} or {units} or {file} or {ave} or {title1} or {title2} or {title3} :l +keyword = {norm} or {units} or {file} or {ave} or {overwrite} or {title1} or {title2} or {title3} :l {units} arg = {box} or {lattice} or {reduced} {norm} arg = {all} or {sample} {region} arg = region-ID @@ -43,6 +43,7 @@ keyword = {norm} or {units} or {file} or {ave} or {title1} or {title2} or {title window M = output average of M most recent Nfreq steps {file} arg = filename filename = file to write results to + {overwrite} arg = none = overwrite output file with only latest output {title1} arg = string string = text to print as 1st line of output file {title2} arg = string @@ -278,6 +279,10 @@ quantities. If the value of the {units} keyword is {box} or {units} keyword is {reduced}, the "coord" is printed in reduced units (0-1). +The {overwrite} keyword will continuously overwrite the output file +with the latest output, so that it only contains one timestep worth of +output. This option can only be used with the {ave running} setting. + The {title1} and {title2} and {title3} keywords allow specification of the strings that will be printed as the first 3 lines of the output file, assuming the {file} keyword was used. LAMMPS uses default diff --git a/doc/fix_ave_time.html b/doc/fix_ave_time.html index 78446a1d45..6efbe7a275 100644 --- a/doc/fix_ave_time.html +++ b/doc/fix_ave_time.html @@ -37,7 +37,7 @@
mode arg = scalar or vector scalar = all input values are global scalars @@ -52,6 +52,7 @@ M = value # from 1 to Nvalues file arg = filename filename = name of file to output time averages to + overwrite arg = none = overwrite output file with only latest output title1 arg = string string = text to print as 1st line of output file title2 arg = string @@ -248,6 +249,10 @@ 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. +The overwrite keyword will continuously overwrite the output file +with the latest output, so that it only contains one timestep worth of +output. This option can only be used with the ave running setting. +
The title1 and title2 and title3 keywords allow specification of the strings that will be printed as the first 2 or 3 lines of the output file, assuming the file keyword was used. LAMMPS uses diff --git a/doc/fix_ave_time.txt b/doc/fix_ave_time.txt index 18a224a7e4..31572f4a82 100644 --- a/doc/fix_ave_time.txt +++ b/doc/fix_ave_time.txt @@ -26,7 +26,7 @@ value = c_ID, c_ID\[N\], f_ID, f_ID\[N\], v_name :l v_name = global value calculated by an equal-style variable with name :pre zero or more keyword/arg pairs may be appended :l -keyword = {mode} or {file} or {ave} or {start} or {off} or {title1} or {title2} or {title3} :l +keyword = {mode} or {file} or {ave} or {start} or {off} or {overwrite} or {title1} or {title2} or {title3} :l {mode} arg = {scalar} or {vector} scalar = all input values are global scalars vector = all input values are global vectors or global arrays @@ -40,6 +40,7 @@ keyword = {mode} or {file} or {ave} or {start} or {off} or {title1} or {title2} M = value # from 1 to Nvalues {file} arg = filename filename = name of file to output time averages to + {overwrite} arg = none = overwrite output file with only latest output {title1} arg = string string = text to print as 1st line of output file {title2} arg = string @@ -235,6 +236,10 @@ 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. +The {overwrite} keyword will continuously overwrite the output file +with the latest output, so that it only contains one timestep worth of +output. This option can only be used with the {ave running} setting. + The {title1} and {title2} and {title3} keywords allow specification of the strings that will be printed as the first 2 or 3 lines of the output file, assuming the {file} keyword was used. LAMMPS uses