From 260b7ee47d3851fe0631db6f07906311b4684584 Mon Sep 17 00:00:00 2001 From: Giovanni Bussi <giovanni.bussi@gmail.com> Date: Mon, 24 Apr 2017 14:46:38 +0200 Subject: [PATCH] fix doc [makedoc] --- src/generic/UpdateIf.cpp | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/src/generic/UpdateIf.cpp b/src/generic/UpdateIf.cpp index 1db2b6cb1..2d067fcf3 100644 --- a/src/generic/UpdateIf.cpp +++ b/src/generic/UpdateIf.cpp @@ -66,7 +66,10 @@ the solute. solute: GROUP ATOMS=1-124 coord: COORDINATION GROUPA=solute GROUPB=500 R_0=0.5 -UPDATE_IF ARG=coord LESS_THAN=0.5 +# A coordination number higher than 0.5 indicate that there is at least one +# atom of group `solute` at less than 5 A from atom number 500 + +UPDATE_IF ARG=coord MORE_THAN=0.5 DUMPATOMS ATOMS=solute,500 FILE=output.xyz UPDATE_IF ARG=coord END \endverbatim -- GitLab