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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@545 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2007-04-30 19:26:01 +00:00
parent 4ddfb8af09
commit e66c29fc66
1 changed files with 5 additions and 5 deletions
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10
src/fix_ave_spatial.cpp
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@ -307,7 +307,7 @@ void FixAveSpatial::end_of_step()
// perform the computation for one sample
// sum within each layer, only include atoms in fix group
// DENSITY_MASS adds mass
// DENSITY_MASS adds mass to values
// DENSITY_NUM adds 1 to values
// ATOM adds atom vector to values
// COMPUTE adds its vector to values
@ -323,7 +323,7 @@ void FixAveSpatial::end_of_step()
for (i = 0; i < nlocal; i++) {
if (mask[i] & groupbit) {
ilayer = static_cast<int> ((x[dim][i] - offset) * invdelta);
ilayer = static_cast<int> ((x[i][dim] - offset) * invdelta);
if (ilayer < 0) ilayer = 0;
if (ilayer >= nlayers) ilayer = nlayers-1;
count_one[ilayer] += 1.0;
@ -335,7 +335,7 @@ void FixAveSpatial::end_of_step()
} else if (which == DENSITY_NUM) {
for (i = 0; i < nlocal; i++) {
if (mask[i] & groupbit) {
ilayer = static_cast<int> ((x[dim][i] - offset) * invdelta);
ilayer = static_cast<int> ((x[i][dim] - offset) * invdelta);
if (ilayer < 0) ilayer = 0;
if (ilayer >= nlayers) ilayer = nlayers-1;
count_one[ilayer] += 1.0;
@ -356,7 +356,7 @@ void FixAveSpatial::end_of_step()
m = 0;
for (i = 0; i < nlocal; i++) {
if (mask[i] & groupbit) {
ilayer = static_cast<int> ((x[dim][i] - offset) * invdelta);
ilayer = static_cast<int> ((x[i][dim] - offset) * invdelta);
if (ilayer < 0) ilayer = 0;
if (ilayer >= nlayers) ilayer = nlayers-1;
count_one[ilayer] += 1.0;
@ -374,7 +374,7 @@ void FixAveSpatial::end_of_step()
m = 0;
for (i = 0; i < nlocal; i++) {
if (mask[i] & groupbit) {
ilayer = static_cast<int> ((x[dim][i] - offset) * invdelta);
ilayer = static_cast<int> ((x[i][dim] - offset) * invdelta);
if (ilayer < 0) ilayer = 0;
if (ilayer >= nlayers) ilayer = nlayers-1;
count_one[ilayer] += 1.0;