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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13253 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2015-03-18 21:54:52 +00:00
parent 4825579470
commit 4c2103f695
65 changed files with 1167 additions and 151 deletions
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6
src/fix_ave_spatial.cpp
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@ -66,7 +66,6 @@ FixAveSpatial::FixAveSpatial(LAMMPS *lmp, int narg, char **arg) :
global_freq = nfreq;
no_change_box = 1;
time_depend = 1;
ndim = 0;
int iarg = 6;
@ -431,6 +430,7 @@ FixAveSpatial::FixAveSpatial(LAMMPS *lmp, int narg, char **arg) :
// since don't know a priori which are invoked by this fix
// once in end_of_step() can set timestep for ones actually invoked
nvalid_last = -1;
nvalid = nextvalid();
modify->addstep_compute_all(nvalid);
}
@ -549,9 +549,13 @@ void FixAveSpatial::end_of_step()
int i,j,m,n;
// skip if not step which requires doing something
// error check if timestep was reset in an invalid manner
bigint ntimestep = update->ntimestep;
if (ntimestep < nvalid_last || ntimestep > nvalid)
error->all(FLERR,"Invalid timestep resets for fix ave/time");
if (ntimestep != nvalid) return;
nvalid_last = nvalid;
// update region if necessary