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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5520 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2011-01-11 00:41:00 +00:00
parent 4bc2d6f332
commit 82ec94916d
79 changed files with 458 additions and 315 deletions
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10
src/dump_atom.cpp
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@ -162,8 +162,7 @@ void DumpAtom::write_data(int n, double *mybuf)
void DumpAtom::header_binary(bigint ndump)
{
bigint ntimestep = update->ntimestep;
fwrite(&ntimestep,sizeof(bigint),1,fp);
fwrite(&update->ntimestep,sizeof(bigint),1,fp);
fwrite(&ndump,sizeof(bigint),1,fp);
fwrite(&domain->triclinic,sizeof(int),1,fp);
fwrite(&boxxlo,sizeof(double),1,fp);
@ -183,8 +182,7 @@ void DumpAtom::header_binary(bigint ndump)
void DumpAtom::header_binary_triclinic(bigint ndump)
{
bigint ntimestep = update->ntimestep;
fwrite(&ntimestep,sizeof(bigint),1,fp);
fwrite(&update->ntimestep,sizeof(bigint),1,fp);
fwrite(&ndump,sizeof(bigint),1,fp);
fwrite(&domain->triclinic,sizeof(int),1,fp);
fwrite(&boxxlo,sizeof(double),1,fp);
@ -208,7 +206,7 @@ void DumpAtom::header_binary_triclinic(bigint ndump)
void DumpAtom::header_item(bigint ndump)
{
fprintf(fp,"ITEM: TIMESTEP\n");
fprintf(fp,"%d\n",update->ntimestep);
fprintf(fp,BIGINT_FORMAT_NL,update->ntimestep);
fprintf(fp,"ITEM: NUMBER OF ATOMS\n");
fprintf(fp,BIGINT_FORMAT_NL,ndump);
fprintf(fp,"ITEM: BOX BOUNDS\n");
@ -223,7 +221,7 @@ void DumpAtom::header_item(bigint ndump)
void DumpAtom::header_item_triclinic(bigint ndump)
{
fprintf(fp,"ITEM: TIMESTEP\n");
fprintf(fp,"%d\n",update->ntimestep);
fprintf(fp,BIGINT_FORMAT_NL,update->ntimestep);
fprintf(fp,"ITEM: NUMBER OF ATOMS\n");
fprintf(fp,BIGINT_FORMAT_NL,ndump);
fprintf(fp,"ITEM: BOX BOUNDS xy xz yz\n");