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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2589 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2009-02-12 21:36:52 +00:00
parent 0b60bfbf51
commit 94ddc19477
39 changed files with 1506 additions and 1426 deletions
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14
src/dump_custom.cpp
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@ -343,15 +343,15 @@ int DumpCustom::count()
ptr = dchoose;
nstride = 1;
} else if (thresh_array[ithresh] == MASS) {
if (atom->mass) {
if (atom->rmass) {
ptr = atom->rmass;
nstride = 1;
} else {
double *mass = atom->mass;
int *type = atom->type;
for (i = 0; i < nlocal; i++) dchoose[i] = mass[type[i]];
ptr = dchoose;
nstride = 1;
} else {
ptr = atom->rmass;
nstride = 1;
}
} else if (thresh_array[ithresh] == X) {
@ -1450,16 +1450,16 @@ void DumpCustom::pack_mass(int n)
double *rmass = atom->rmass;
int nlocal = atom->nlocal;
if (mass) {
if (rmass) {
for (int i = 0; i < nlocal; i++)
if (choose[i]) {
buf[n] = mass[type[i]];
buf[n] = rmass[i];
n += size_one;
}
} else {
for (int i = 0; i < nlocal; i++)
if (choose[i]) {
buf[n] = rmass[i];
buf[n] = mass[type[i]];
n += size_one;
}
}