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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@371 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2007-03-08 00:54:02 +00:00
parent a70ee2eadc
commit 9e1f8bcd6a
64 changed files with 1785 additions and 772 deletions
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8
src/write_restart.cpp
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@ -77,10 +77,12 @@ void WriteRestart::command(int narg, char **arg)
// move atoms to new processors before writing file
// enforce PBC before in case atoms are outside box
if (domain->triclinic) domain->x2lamda(atom->nlocal);
domain->pbc();
domain->reset_box();
comm->setup();
comm->exchange();
if (domain->triclinic) domain->lamda2x(atom->nlocal);
write(file);
delete [] file;
@ -284,6 +286,12 @@ void WriteRestart::header()
write_double(44,force->special_coul[2]);
write_double(45,force->special_coul[3]);
if (domain->triclinic) {
write_double(46,domain->xy);
write_double(47,domain->xz);
write_double(48,domain->yz);
}
// -1 flag signals end of header
int flag = -1;