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add ITEM: DIMENSION to dump grid src/doc

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This commit is contained in:
Steve Plimpton
2023-01-13 09:42:11 -07:00
parent 6a8df032b6
commit 9169d88090
2 changed files with 18 additions and 11 deletions
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4
src/dump_grid.cpp
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@ -377,6 +377,7 @@ void DumpGrid::header_binary(bigint ndump)
fwrite(&boxyhi,sizeof(double),1,fp);
fwrite(&boxzlo,sizeof(double),1,fp);
fwrite(&boxzhi,sizeof(double),1,fp);
fwrite(&domain->dimension,sizeof(int),1,fp);
fwrite(&nxgrid,sizeof(int),1,fp);
fwrite(&nygrid,sizeof(int),1,fp);
fwrite(&nzgrid,sizeof(int),1,fp);
@ -409,6 +410,7 @@ void DumpGrid::header_binary_triclinic(bigint ndump)
fwrite(&boxxy,sizeof(double),1,fp);
fwrite(&boxxz,sizeof(double),1,fp);
fwrite(&boxyz,sizeof(double),1,fp);
fwrite(&domain->dimension,sizeof(int),1,fp);
fwrite(&nxgrid,sizeof(int),1,fp);
fwrite(&nygrid,sizeof(int),1,fp);
fwrite(&nzgrid,sizeof(int),1,fp);
@ -438,6 +440,7 @@ void DumpGrid::header_item(bigint /*ndump*/)
"{:>1.16e} {:>1.16e}\n"
"{:>1.16e} {:>1.16e}\n",
boundstr,boxxlo,boxxhi,boxylo,boxyhi,boxzlo,boxzhi);
fmt::print(fp,"ITEM: DIMENSION\n{}\n",domain->dimension);
fmt::print(fp,"ITEM: GRID SIZE nx ny nz\n{} {} {}\n",nxgrid,nygrid,nzgrid);
fmt::print(fp,"ITEM: GRID CELLS {}\n",columns);
}
@ -458,6 +461,7 @@ void DumpGrid::header_item_triclinic(bigint /*ndump*/)
"{:>1.16e} {:>1.16e} {:>1.16e}\n"
"{:>1.16e} {:>1.16e} {:>1.16e}\n",
boundstr,boxxlo,boxxhi,boxxy,boxylo,boxyhi,boxxz,boxzlo,boxzhi,boxyz);
fmt::print(fp,"ITEM: DIMENSION\n{}\n",domain->dimension);
fmt::print(fp,"ITEM: GRID SIZE nx ny nz\n{} {} {}\n",nxgrid,nygrid,nzgrid);
fmt::print(fp,"ITEM: GRID CELLS {}\n",columns);
}