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changes to imbalance weight factors

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This commit is contained in:
Steve Plimpton
2016-10-05 10:33:39 -06:00
parent 11c2892e54
commit c46be7db62
36 changed files with 241 additions and 302 deletions
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8
src/dump_custom.cpp
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@ -43,7 +43,7 @@ enum{ID,MOL,PROC,PROCP1,TYPE,ELEMENT,MASS,
OMEGAX,OMEGAY,OMEGAZ,ANGMOMX,ANGMOMY,ANGMOMZ,
TQX,TQY,TQZ,
COMPUTE,FIX,VARIABLE,INAME,DNAME};
enum{LT,LE,GT,GE,EQ,NEQ};
enum{LT,LE,GT,GE,EQ,NEQ,XOR};
enum{INT,DOUBLE,STRING,BIGINT}; // same as in DumpCFG
#define INVOKED_PERATOM 8
@ -947,6 +947,11 @@ int DumpCustom::count()
} else if (thresh_op[ithresh] == NEQ) {
for (i = 0; i < nlocal; i++, ptr += nstride)
if (choose[i] && *ptr == value) choose[i] = 0;
} else if (thresh_op[ithresh] == XOR) {
for (i = 0; i < nlocal; i++, ptr += nstride)
if (choose[i] && (*ptr == 0.0 && value == 0.0) ||
(*ptr != 0.0 && value != 0.0))
choose[i] = 0;
}
}
}
@ -1835,6 +1840,7 @@ int DumpCustom::modify_param(int narg, char **arg)
else if (strcmp(arg[2],">=") == 0) thresh_op[nthresh] = GE;
else if (strcmp(arg[2],"==") == 0) thresh_op[nthresh] = EQ;
else if (strcmp(arg[2],"!=") == 0) thresh_op[nthresh] = NEQ;
else if (strcmp(arg[2],"|^") == 0) thresh_op[nthresh] = XOR;
else error->all(FLERR,"Invalid dump_modify threshold operator");
// set threshold value