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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15418 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2016-08-01 21:30:11 +00:00
parent e6c5898e53
commit 98aee05152
6 changed files with 134 additions and 135 deletions
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33
src/fix_ave_chunk.cpp
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@ -57,15 +57,25 @@ FixAveChunk::FixAveChunk(LAMMPS *lmp, int narg, char **arg) :
global_freq = nfreq;
no_change_box = 1;
// expand args if any have wildcard character "*"
int expand = 0;
char **earg,**arghold;
int nargnew = input->expand_args(narg-7,&arg[7],1,earg);
if (earg != &arg[7]) expand = 1;
arghold = arg;
arg = earg;
// parse values until one isn't recognized
int iarg = 7;
which = new int[narg-iarg];
argindex = new int[narg-iarg];
ids = new char*[narg-iarg];
value2index = new int[narg-iarg];
which = new int[nargnew];
argindex = new int[nargnew];
ids = new char*[nargnew];
value2index = new int[nargnew];
nvalues = 0;
int iarg = 7;
while (iarg < narg) {
ids[nvalues] = NULL;
@ -152,7 +162,7 @@ FixAveChunk::FixAveChunk(LAMMPS *lmp, int narg, char **arg) :
char *title2 = NULL;
char *title3 = NULL;
while (iarg < narg) {
while (iarg < nargnew) {
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) {
@ -349,7 +359,7 @@ FixAveChunk::FixAveChunk(LAMMPS *lmp, int narg, char **arg) :
else if (ncoord == 3)
fprintf(fp,"# Chunk OrigID Coord1 Coord2 Coord3 Ncount");
}
for (int i = 0; i < nvalues; i++) fprintf(fp," %s",arg[7+i]);
for (int i = 0; i < nvalues; i++) fprintf(fp," %s",earg[i]);
fprintf(fp,"\n");
}
if (ferror(fp))
@ -362,6 +372,15 @@ FixAveChunk::FixAveChunk(LAMMPS *lmp, int narg, char **arg) :
delete [] title2;
delete [] title3;
// if wildcard expansion occurred, free earg memory from expand_args()
// wait to do this until after file comment lines are printed
if (expand) {
for (int i = 0; i < nvalues; i++) delete [] earg[i];
memory->sfree(earg);
arg = arghold;
}
// this fix produces a global array
// size_array_rows is variable and set by allocate()