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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4995 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2010-10-07 15:03:00 +00:00
parent e20c035199
commit c696189dfc
4 changed files with 41 additions and 35 deletions
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14
src/fix_ave_time.cpp
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@ -189,7 +189,7 @@ FixAveTime::FixAveTime(LAMMPS *lmp, int narg, char **arg) :
if (argindex[i] == 0 && modify->compute[icompute]->vector_flag == 0)
error->all("Fix ave/time compute does not calculate a vector");
if (argindex[i] && modify->compute[icompute]->array_flag == 0)
error->all("Fix ave/time compute does not calculate a array");
error->all("Fix ave/time compute does not calculate an array");
if (argindex[i] &&
argindex[i] > modify->compute[icompute]->size_array_cols)
error->all("Fix ave/time compute array is accessed out-of-range");
@ -211,10 +211,10 @@ FixAveTime::FixAveTime(LAMMPS *lmp, int narg, char **arg) :
int ifix = modify->find_fix(ids[i]);
if (ifix < 0)
error->all("Fix ID for fix ave/time does not exist");
if (argindex[i] == 0 && modify->fix[ifix]->scalar_flag == 0)
if (argindex[i] == 0 && modify->fix[ifix]->vector_flag == 0)
error->all("Fix ave/time fix does not calculate a vector");
if (argindex[i] && modify->fix[ifix]->vector_flag == 0)
error->all("Fix ave/time fix does not calculate a array");
if (argindex[i] && modify->fix[ifix]->array_flag == 0)
error->all("Fix ave/time fix does not calculate an array");
if (argindex[i] && argindex[i] > modify->fix[ifix]->size_array_cols)
error->all("Fix ave/time fix array is accessed out-of-range");
if (nevery % modify->fix[ifix]->global_freq)
@ -689,9 +689,11 @@ void FixAveTime::invoke_vector(int ntimestep)
if (argindex[j] == 0)
for (i = 0; i < nrows; i++)
column[i] = fix->compute_vector(i);
else
else {
int icol = argindex[j]-1;
for (i = 0; i < nrows; i++)
column[i] = fix->compute_array(i,argindex[j]);
column[i] = fix->compute_array(i,icol);
}
}
// add columns of values to array or just set directly if offcol is set