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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2774 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2009-04-28 14:51:48 +00:00
parent 70e7709d2e
commit 00efe14d6d
5 changed files with 191 additions and 9 deletions
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20
src/compute_reduce.cpp
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@ -16,6 +16,7 @@
#include "compute_reduce.h"
#include "atom.h"
#include "update.h"
#include "domain.h"
#include "modify.h"
#include "fix.h"
#include "force.h"
@ -40,12 +41,22 @@ enum{DUMMY0,INVOKED_SCALAR,INVOKED_VECTOR,DUMMMY3,INVOKED_PERATOM};
ComputeReduce::ComputeReduce(LAMMPS *lmp, int narg, char **arg) :
Compute(lmp, narg, arg)
{
if (narg < 5) error->all("Illegal compute reduce command");
int iarg;
if (strcmp(style,"reduce") == 0) {
if (narg < 5) error->all("Illegal compute reduce command");
iarg = 3;
} else if (strcmp(style,"reduce/region") == 0) {
if (narg < 6) error->all("Illegal compute reduce/region command");
iregion = domain->find_region(arg[3]);
if (iregion == -1) error->all("Compute reduce region ID does not exist");
iarg = 4;
}
if (strcmp(arg[3],"sum") == 0) mode = SUM;
else if (strcmp(arg[3],"min") == 0) mode = MINN;
else if (strcmp(arg[3],"max") == 0) mode = MAXX;
if (strcmp(arg[iarg],"sum") == 0) mode = SUM;
else if (strcmp(arg[iarg],"min") == 0) mode = MINN;
else if (strcmp(arg[iarg],"max") == 0) mode = MAXX;
else error->all("Illegal compute reduce command");
iarg++;
// parse remaining values
@ -55,7 +66,6 @@ ComputeReduce::ComputeReduce(LAMMPS *lmp, int narg, char **arg) :
value2index = new int[narg-4];
nvalues = 0;
int iarg = 4;
while (iarg < narg) {
ids[nvalues] = NULL;