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Add UNITS information to dump atom binary format

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This commit is contained in:
Richard Berger
2020-08-13 10:49:03 -04:00
parent b27d63059c
commit 6d825dcb6b
3 changed files with 121 additions and 4 deletions
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28
src/dump_atom.cpp
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@ -204,6 +204,7 @@ void DumpAtom::header_format_binary()
void DumpAtom::header_binary(bigint ndump)
{
header_format_binary();
fwrite(&update->ntimestep,sizeof(bigint),1,fp);
fwrite(&ndump,sizeof(bigint),1,fp);
fwrite(&domain->triclinic,sizeof(int),1,fp);
@ -216,10 +217,22 @@ void DumpAtom::header_binary(bigint ndump)
fwrite(&boxzhi,sizeof(double),1,fp);
fwrite(&size_one,sizeof(int),1,fp);
int len = strlen(columns);
int len = 0;
if (unit_flag && !unit_count) {
++unit_count;
len = strlen(update->unit_style);
fwrite(&len, sizeof(int), 1, fp);
fwrite(update->unit_style, sizeof(char), len, fp);
} else {
fwrite(&len, sizeof(int), 1, fp);
}
len = strlen(columns);
fwrite(&len, sizeof(int), 1, fp);
fwrite(columns, sizeof(char), len, fp);
if (multiproc) fwrite(&nclusterprocs,sizeof(int),1,fp);
else fwrite(&nprocs,sizeof(int),1,fp);
}
@ -244,7 +257,18 @@ void DumpAtom::header_binary_triclinic(bigint ndump)
fwrite(&boxyz,sizeof(double),1,fp);
fwrite(&size_one,sizeof(int),1,fp);
int len = strlen(columns);
int len = 0;
if (unit_flag && !unit_count) {
++unit_count;
len = strlen(update->unit_style);
fwrite(&len, sizeof(int), 1, fp);
fwrite(update->unit_style, sizeof(char), len, fp);
} else {
fwrite(&len, sizeof(int), 1, fp);
}
len = strlen(columns);
fwrite(&len, sizeof(int), 1, fp);
fwrite(columns, sizeof(char), len, fp);