From e6ec760e76a8e706b92f3e1946c471794f2e0f57 Mon Sep 17 00:00:00 2001 From: Giovanni Bussi <giovanni.bussi@gmail.com> Date: Fri, 23 Jan 2015 18:10:21 -0600 Subject: [PATCH] fixed doc for SORT and PIECEWISE --- CHANGES/v2.1.txt | 1 + src/function/Piecewise.cpp | 5 +++-- src/function/Sort.cpp | 4 ++-- 3 files changed, 6 insertions(+), 4 deletions(-) diff --git a/CHANGES/v2.1.txt b/CHANGES/v2.1.txt index fffe60973..8d5e12da3 100644 --- a/CHANGES/v2.1.txt +++ b/CHANGES/v2.1.txt @@ -19,6 +19,7 @@ Changes from version 2.0 which are relevant for users: - \ref COORDINATION now skips pairs of one atom with itself. - Labels of quantities calculated by \ref BIASVALUE have changed from <i>label</i>.bias.<i>argname</i> to <i>label</i>.<i>argname</i>_bias, which is more consistent with steered MD - Labels of quantities calculated by \ref ABMD have change from <i>label</i>.min_<i>argname</i> to <i>label</i>.<i>argname</i>_min, which is more consistent with steered MD + - Labels of quantities calculated by \ref PIECEWISE have change from <i>label</i>.<i>argnumber/i> to <i>label</i>.<i>argname</i>_pfunc, which is more consistent with steered MD - For multicolvars components calculated with LESS_THAN and MORE_THAN keywords are now labelled lessthan and morethan. This change is necessary as the underscore character now has a special usage in component names. - In \ref CONTACTMAP components are now labelled <i>label</i>.contact-\f$n\f$. diff --git a/src/function/Piecewise.cpp b/src/function/Piecewise.cpp index 0282683ab..5deb03efa 100644 --- a/src/function/Piecewise.cpp +++ b/src/function/Piecewise.cpp @@ -51,7 +51,8 @@ Control points are passed using the POINT0=... POINT1=... syntax as in the examp If one argument is supplied, it results in a scalar quantity. If multiple arguments are supplied, it results -in a vector of arguments. +in a vector of values. Each value will be named as the name of the original +argument with suffix _pfunc. \par Examples \verbatim @@ -60,7 +61,7 @@ dist2: DISTANCE ATOMS=2,11 pw: PIECEWISE POINT0=1,10 POINT1=1,PI POINT2=3,10 ARG=dist1 ppww: PIECEWISE POINT0=1,10 POINT1=1,PI POINT2=3,10 ARG=dist1,dist2 -PRINT ARG=pw,ppww.1,ppww.2 +PRINT ARG=pw,ppww.dist1_pfunc,ppww.dist2_pfunc \endverbatim (See also \ref PRINT and \ref DISTANCE). diff --git a/src/function/Sort.cpp b/src/function/Sort.cpp index 926fea118..2d2d35545 100644 --- a/src/function/Sort.cpp +++ b/src/function/Sort.cpp @@ -37,8 +37,8 @@ This function can be used to sort colvars according to their magnitudes. \par Description of components -This function sorts its arguments according to their magnitudes. The largest argument will be -labelled <em>label</em>.1, the second largest will be labelled <em>label</em>.2 and so on. +This function sorts its arguments according to their magnitudes. The lowest argument will be +labelled <em>label</em>.1, the second lowest will be labelled <em>label</em>.2 and so on. \par Examples The following input tells plumed to print the distance of the closest and of -- GitLab