ICODE-ADC/lammps
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upgrades to read/write data commands

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This commit is contained in:
Steve Plimpton
2023-09-15 16:49:56 -06:00
parent 30f7328841
commit c5b2d66283
9 changed files with 52 additions and 28 deletions
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5
src/dump_atom.cpp
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@ -334,13 +334,14 @@ void DumpAtom::header_binary_triclinic_general(bigint ndump)
fwrite(&update->ntimestep,sizeof(bigint),1,fp);
fwrite(&ndump,sizeof(bigint),1,fp);
int general_tri = 2;
fwrite(&general_tri,sizeof(int),1,fp);
int triclinic_general_flag = 2;
fwrite(&triclinic_general_flag,sizeof(int),1,fp);
fwrite(&domain->boundary[0][0],6*sizeof(int),1,fp);
fwrite(domain->avec,3*sizeof(double),1,fp);
fwrite(domain->bvec,3*sizeof(double),1,fp);
fwrite(domain->cvec,3*sizeof(double),1,fp);
fwrite(domain->boxlo,3*sizeof(double),1,fp);
fwrite(&size_one,sizeof(int),1,fp);
header_unit_style_binary();
header_time_binary();