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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14307 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2015-12-09 15:41:43 +00:00
parent d24d85da64
commit 1860c2d764
1 changed files with 12 additions and 11 deletions
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23
src/fix_ave_chunk.cpp
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@ -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)