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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2330 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2009-01-05 22:26:08 +00:00
parent e1f72f6d3a
commit 0cc1d090f4
90 changed files with 1129 additions and 779 deletions
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10
src/compute_reduce.cpp
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@ -27,10 +27,6 @@
using namespace LAMMPS_NS;
#define INVOKED_SCALAR 1
#define INVOKED_VECTOR 2
#define INVOKED_PERATOM 4
enum{SUM,MINN,MAXX};
enum{X,V,F,COMPUTE,FIX,VARIABLE};
@ -224,7 +220,7 @@ void ComputeReduce::init()
double ComputeReduce::compute_scalar()
{
invoked |= INVOKED_SCALAR;
invoked_scalar = update->ntimestep;
double one = compute_one(0);
if (mode == SUM)
@ -240,7 +236,7 @@ double ComputeReduce::compute_scalar()
void ComputeReduce::compute_vector()
{
invoked |= INVOKED_VECTOR;
invoked_vector = update->ntimestep;
for (int m = 0; m < nvalues; m++) onevec[m] = compute_one(m);
if (mode == SUM)
@ -288,7 +284,7 @@ double ComputeReduce::compute_one(int m)
// invoke compute if not previously invoked
} else if (which[m] == COMPUTE) {
if (!(modify->compute[n]->invoked & INVOKED_PERATOM))
if (modify->compute[n]->invoked_peratom != update->ntimestep)
modify->compute[n]->compute_peratom();
if (j == 0) {