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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5504 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2011-01-07 21:42:19 +00:00
parent beabb5e05a
commit 140cdf9485
52 changed files with 417 additions and 220 deletions
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18
src/dump_atom.cpp
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@ -123,7 +123,7 @@ int DumpAtom::modify_param(int narg, char **arg)
/* ---------------------------------------------------------------------- */
void DumpAtom::write_header(int ndump)
void DumpAtom::write_header(bigint ndump)
{
if (multiproc) (this->*header_choice)(ndump);
else if (me == 0) (this->*header_choice)(ndump);
@ -160,10 +160,10 @@ void DumpAtom::write_data(int n, double *mybuf)
/* ---------------------------------------------------------------------- */
void DumpAtom::header_binary(int ndump)
void DumpAtom::header_binary(bigint ndump)
{
fwrite(&update->ntimestep,sizeof(int),1,fp);
fwrite(&ndump,sizeof(int),1,fp);
fwrite(&ndump,sizeof(bigint),1,fp);
fwrite(&domain->triclinic,sizeof(int),1,fp);
fwrite(&boxxlo,sizeof(double),1,fp);
fwrite(&boxxhi,sizeof(double),1,fp);
@ -180,10 +180,10 @@ void DumpAtom::header_binary(int ndump)
/* ---------------------------------------------------------------------- */
void DumpAtom::header_binary_triclinic(int ndump)
void DumpAtom::header_binary_triclinic(bigint ndump)
{
fwrite(&update->ntimestep,sizeof(int),1,fp);
fwrite(&ndump,sizeof(int),1,fp);
fwrite(&ndump,sizeof(bigint),1,fp);
fwrite(&domain->triclinic,sizeof(int),1,fp);
fwrite(&boxxlo,sizeof(double),1,fp);
fwrite(&boxxhi,sizeof(double),1,fp);
@ -203,12 +203,12 @@ void DumpAtom::header_binary_triclinic(int ndump)
/* ---------------------------------------------------------------------- */
void DumpAtom::header_item(int ndump)
void DumpAtom::header_item(bigint ndump)
{
fprintf(fp,"ITEM: TIMESTEP\n");
fprintf(fp,"%d\n",update->ntimestep);
fprintf(fp,"ITEM: NUMBER OF ATOMS\n");
fprintf(fp,"%d\n",ndump);
fprintf(fp,BIGINT_FORMAT_NL,ndump);
fprintf(fp,"ITEM: BOX BOUNDS\n");
fprintf(fp,"%g %g\n",boxxlo,boxxhi);
fprintf(fp,"%g %g\n",boxylo,boxyhi);
@ -218,12 +218,12 @@ void DumpAtom::header_item(int ndump)
/* ---------------------------------------------------------------------- */
void DumpAtom::header_item_triclinic(int ndump)
void DumpAtom::header_item_triclinic(bigint ndump)
{
fprintf(fp,"ITEM: TIMESTEP\n");
fprintf(fp,"%d\n",update->ntimestep);
fprintf(fp,"ITEM: NUMBER OF ATOMS\n");
fprintf(fp,"%d\n",ndump);
fprintf(fp,BIGINT_FORMAT_NL,ndump);
fprintf(fp,"ITEM: BOX BOUNDS xy xz yz\n");
fprintf(fp,"%g %g %g\n",boxxlo,boxxhi,boxxy);
fprintf(fp,"%g %g %g\n",boxylo,boxyhi,boxxz);