From 1860c2d764a806fdacca27a065c2c0dffa7d7510 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Wed, 9 Dec 2015 15:41:43 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14307 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/fix_ave_chunk.cpp | 23 ++++++++++++----------- 1 file changed, 12 insertions(+), 11 deletions(-) diff --git a/src/fix_ave_chunk.cpp b/src/fix_ave_chunk.cpp index ed95d11de7..c488c673b5 100644 --- a/src/fix_ave_chunk.cpp +++ b/src/fix_ave_chunk.cpp @@ -32,8 +32,8 @@ using namespace FixConst; enum{V,F,DENSITY_NUMBER,DENSITY_MASS,MASS,TEMPERATURE,COMPUTE,FIX,VARIABLE}; enum{SAMPLE,ALL}; -enum{ONE,RUNNING,WINDOW}; enum{NOSCALE,ATOM}; +enum{ONE,RUNNING,WINDOW}; #define INVOKED_PERATOM 8 @@ -137,8 +137,8 @@ FixAveChunk::FixAveChunk(LAMMPS *lmp, int narg, char **arg) : // optional args normflag = ALL; - ave = ONE; scaleflag = ATOM; + ave = ONE; fp = NULL; nwindow = 0; biasflag = 0; @@ -155,9 +155,16 @@ FixAveChunk::FixAveChunk(LAMMPS *lmp, int narg, char **arg) : while (iarg < narg) { if (strcmp(arg[iarg],"norm") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal fix ave/chunk command"); - if (strcmp(arg[iarg+1],"all") == 0) normflag = ALL; - else if (strcmp(arg[iarg+1],"sample") == 0) normflag = SAMPLE; - else error->all(FLERR,"Illegal fix ave/chunk command"); + if (strcmp(arg[iarg+1],"all") == 0) { + normflag = ALL; + scaleflag = ATOM; + } else if (strcmp(arg[iarg+1],"sample") == 0) { + normflag = SAMPLE; + scaleflag = ATOM; + } else if (strcmp(arg[iarg+1],"none") == 0) { + normflag = SAMPLE; + scaleflag = NOSCALE; + } else error->all(FLERR,"Illegal fix ave/chunk command"); iarg += 2; } else if (strcmp(arg[iarg],"ave") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal fix ave/chunk command"); @@ -172,12 +179,6 @@ FixAveChunk::FixAveChunk(LAMMPS *lmp, int narg, char **arg) : } iarg += 2; if (ave == WINDOW) iarg++; - } else if (strcmp(arg[iarg],"scale") == 0) { - if (iarg+2 > narg) error->all(FLERR,"Illegal fix ave/chunk command"); - if (strcmp(arg[iarg+1],"none") == 0) scaleflag = NOSCALE; - else if (strcmp(arg[iarg+1],"atom") == 0) scaleflag = ATOM; - else error->all(FLERR,"Illegal fix ave/chunk command"); - iarg += 2; } else if (strcmp(arg[iarg],"bias") == 0) { if (iarg+2 > narg)