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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3912 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2010-03-22 18:58:17 +00:00
parent 37e74593a8
commit a291e91880
1 changed files with 12 additions and 8 deletions
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20
src/fix_ttm.cpp
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@ -605,21 +605,24 @@ double FixTTM::compute_vector(int n)
void FixTTM::write_restart(FILE *fp)
{
double *rlist = (double *)
memory->smalloc((1+nxnodes*nynodes*nznodes)*sizeof(double),"TTM:rlist");
int n = 0;
double list[1 + nxnodes*nynodes*nznodes];
list[n++] = seed;
rlist[n++] = seed;
for (int ixnode = 0; ixnode < nxnodes; ixnode++)
for (int iynode = 0; iynode < nynodes; iynode++)
for (int iznode = 0; iznode < nznodes; iznode++)
list[n++] = T_electron[ixnode][iynode][iznode];
rlist[n++] = T_electron[ixnode][iynode][iznode];
if (comm->me == 0) {
int size = n * sizeof(double);
fwrite(&size,sizeof(int),1,fp);
fwrite(list,sizeof(double),n,fp);
fwrite(rlist,sizeof(double),n,fp);
}
memory->sfree(rlist);
}
/* ----------------------------------------------------------------------
@ -629,15 +632,16 @@ void FixTTM::write_restart(FILE *fp)
void FixTTM::restart(char *buf)
{
int n = 0;
double *list = (double *) buf;
double *rlist = (double *) buf;
// the seed must be changed from the initial seed
seed = static_cast<int> (2*list[n++]);
seed = static_cast<int> (0.5*rlist[n++]);
for (int ixnode = 0; ixnode < nxnodes; ixnode++)
for (int iynode = 0; iynode < nynodes; iynode++)
for (int iznode = 0; iznode < nznodes; iznode++)
T_electron[ixnode][iynode][iznode] = list[n++];
T_electron[ixnode][iynode][iznode] = rlist[n++];
delete random;
random = new RanMars(lmp,seed+comm->me);