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add support for optionally including unit information in standard dump files

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This commit is contained in:
Axel Kohlmeyer
2019-09-12 14:37:42 -04:00
parent 4bbe4c73aa
commit e413aaf217
7 changed files with 51 additions and 24 deletions
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9
src/dump_custom.cpp
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@ -420,7 +420,10 @@ void DumpCustom::header_binary_triclinic(bigint ndump)
void DumpCustom::header_item(bigint ndump)
{
fprintf(fp,"ITEM: UNITS\n%s\n",update->unit_style);
if (unit_flag && !unit_count) {
++unit_count;
fprintf(fp,"ITEM: UNITS\n%s\n",update->unit_style);
}
fprintf(fp,"ITEM: TIMESTEP\n");
fprintf(fp,BIGINT_FORMAT "\n",update->ntimestep);
fprintf(fp,"ITEM: NUMBER OF ATOMS\n");
@ -436,6 +439,10 @@ void DumpCustom::header_item(bigint ndump)
void DumpCustom::header_item_triclinic(bigint ndump)
{
if (unit_flag && !unit_count) {
++unit_count;
fprintf(fp,"ITEM: UNITS\n%s\n",update->unit_style);
}
fprintf(fp,"ITEM: TIMESTEP\n");
fprintf(fp,BIGINT_FORMAT "\n",update->ntimestep);
fprintf(fp,"ITEM: NUMBER OF ATOMS\n");