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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_custom.cpp
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@ -236,7 +236,7 @@ void DumpCustom::init_style()
/* ---------------------------------------------------------------------- */
void DumpCustom::write_header(int ndump)
void DumpCustom::write_header(bigint ndump)
{
if (multiproc) (this->*header_choice)(ndump);
else if (me == 0) (this->*header_choice)(ndump);
@ -244,10 +244,10 @@ void DumpCustom::write_header(int ndump)
/* ---------------------------------------------------------------------- */
void DumpCustom::header_binary(int ndump)
void DumpCustom::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);
@ -264,10 +264,10 @@ void DumpCustom::header_binary(int ndump)
/* ---------------------------------------------------------------------- */
void DumpCustom::header_binary_triclinic(int ndump)
void DumpCustom::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);
@ -287,12 +287,12 @@ void DumpCustom::header_binary_triclinic(int ndump)
/* ---------------------------------------------------------------------- */
void DumpCustom::header_item(int ndump)
void DumpCustom::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);
@ -302,12 +302,12 @@ void DumpCustom::header_item(int ndump)
/* ---------------------------------------------------------------------- */
void DumpCustom::header_item_triclinic(int ndump)
void DumpCustom::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);