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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2015-10-30 20:04:06 +00:00
parent 0aa77408f8
commit 354e20f431
1219 changed files with 10111 additions and 10111 deletions
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26
src/fix_ave_spatial.cpp
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@ -15,9 +15,9 @@
Contributing author: Pieter in 't Veld (SNL)
------------------------------------------------------------------------- */
#include "stdlib.h"
#include "string.h"
#include "unistd.h"
#include <stdlib.h>
#include <string.h>
#include <unistd.h>
#include "fix_ave_spatial.h"
#include "atom.h"
#include "update.h"
@ -83,7 +83,7 @@ FixAveSpatial::FixAveSpatial(LAMMPS *lmp, int narg, char **arg) :
else if (strcmp(arg[iarg+1],"center") == 0) originflag[ndim] = CENTER;
else if (strcmp(arg[iarg+1],"upper") == 0) originflag[ndim] = UPPER;
else originflag[ndim] = COORD;
if (originflag[ndim] == COORD)
if (originflag[ndim] == COORD)
origin[ndim] = force->numeric(FLERR,arg[iarg+1]);
delta[ndim] = force->numeric(FLERR,arg[iarg+2]);
@ -208,11 +208,11 @@ FixAveSpatial::FixAveSpatial(LAMMPS *lmp, int narg, char **arg) :
else error->all(FLERR,"Illegal fix ave/spatial command");
if (strcmp(arg[iarg+2],"lower") == 0) minflag[idim] = LOWER;
else minflag[idim] = COORD;
if (minflag[idim] == COORD)
if (minflag[idim] == COORD)
minvalue[idim] = force->numeric(FLERR,arg[iarg+2]);
if (strcmp(arg[iarg+3],"upper") == 0) maxflag[idim] = UPPER;
else maxflag[idim] = COORD;
if (maxflag[idim] == COORD)
if (maxflag[idim] == COORD)
maxvalue[idim] = force->numeric(FLERR,arg[iarg+3]);
else error->all(FLERR,"Illegal fix ave/spatial command");
iarg += 4;
@ -552,7 +552,7 @@ void FixAveSpatial::end_of_step()
// error check if timestep was reset in an invalid manner
bigint ntimestep = update->ntimestep;
if (ntimestep < nvalid_last || ntimestep > nvalid)
if (ntimestep < nvalid_last || ntimestep > nvalid)
error->all(FLERR,"Invalid timestep reset for fix ave/spatial");
if (ntimestep != nvalid) return;
nvalid_last = nvalid;
@ -619,7 +619,7 @@ void FixAveSpatial::end_of_step()
values_one[bin[i]][m] += attribute[i][j];
} else {
for (i = 0; i < nlocal; i++)
if (mask[i] & groupbit && region->match(x[i][0],x[i][1],x[i][2]) &&
if (mask[i] & groupbit && region->match(x[i][0],x[i][1],x[i][2]) &&
bin[i] >= 0)
values_one[bin[i]][m] += attribute[i][j];
}
@ -634,7 +634,7 @@ void FixAveSpatial::end_of_step()
values_one[bin[i]][m] += 1.0;
} else {
for (i = 0; i < nlocal; i++)
if (mask[i] & groupbit && region->match(x[i][0],x[i][1],x[i][2]) &&
if (mask[i] & groupbit && region->match(x[i][0],x[i][1],x[i][2]) &&
bin[i] >= 0)
values_one[bin[i]][m] += 1.0;
}
@ -654,7 +654,7 @@ void FixAveSpatial::end_of_step()
}
} else {
for (i = 0; i < nlocal; i++)
if (mask[i] & groupbit && region->match(x[i][0],x[i][1],x[i][2]) &&
if (mask[i] & groupbit && region->match(x[i][0],x[i][1],x[i][2]) &&
bin[i] >= 0) {
if (rmass) values_one[bin[i]][m] += rmass[i];
else values_one[bin[i]][m] += mass[type[i]];
@ -682,7 +682,7 @@ void FixAveSpatial::end_of_step()
}
} else {
for (i = 0; i < nlocal; i++)
if (mask[i] & groupbit && region->match(x[i][0],x[i][1],x[i][2]) &&
if (mask[i] & groupbit && region->match(x[i][0],x[i][1],x[i][2]) &&
bin[i] >= 0) {
if (j == 0) values_one[bin[i]][m] += vector[i];
else values_one[bin[i]][m] += array[i][jm1];
@ -705,7 +705,7 @@ void FixAveSpatial::end_of_step()
}
} else {
for (i = 0; i < nlocal; i++)
if (mask[i] & groupbit && region->match(x[i][0],x[i][1],x[i][2]) &&
if (mask[i] & groupbit && region->match(x[i][0],x[i][1],x[i][2]) &&
bin[i] >= 0) {
if (j == 0) values_one[bin[i]][m] += vector[i];
else values_one[bin[i]][m] += array[i][jm1];
@ -730,7 +730,7 @@ void FixAveSpatial::end_of_step()
values_one[bin[i]][m] += varatom[i];
} else {
for (i = 0; i < nlocal; i++)
if (mask[i] & groupbit && region->match(x[i][0],x[i][1],x[i][2]) &&
if (mask[i] & groupbit && region->match(x[i][0],x[i][1],x[i][2]) &&
bin[i] >= 0)
values_one[bin[i]][m] += varatom[i];
}