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add ITEM: UNITS line to native text format dumps

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This commit is contained in:
Axel Kohlmeyer
2019-09-10 09:18:38 -04:00
parent cfd72aacce
commit cd846e1bbb
3 changed files with 4 additions and 0 deletions
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2
src/dump_atom.cpp
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@ -209,6 +209,7 @@ void DumpAtom::header_binary_triclinic(bigint ndump)
void DumpAtom::header_item(bigint ndump) void DumpAtom::header_item(bigint ndump)
{ {
fprintf(fp,"ITEM: UNITS %s\n",update->unit_style);
fprintf(fp,"ITEM: TIMESTEP\n"); fprintf(fp,"ITEM: TIMESTEP\n");
fprintf(fp,BIGINT_FORMAT "\n",update->ntimestep); fprintf(fp,BIGINT_FORMAT "\n",update->ntimestep);
fprintf(fp,"ITEM: NUMBER OF ATOMS\n"); fprintf(fp,"ITEM: NUMBER OF ATOMS\n");
@ -224,6 +225,7 @@ void DumpAtom::header_item(bigint ndump)
void DumpAtom::header_item_triclinic(bigint ndump) void DumpAtom::header_item_triclinic(bigint ndump)
{ {
fprintf(fp,"ITEM: UNITS %s\n",update->unit_style);
fprintf(fp,"ITEM: TIMESTEP\n"); fprintf(fp,"ITEM: TIMESTEP\n");
fprintf(fp,BIGINT_FORMAT "\n",update->ntimestep); fprintf(fp,BIGINT_FORMAT "\n",update->ntimestep);
fprintf(fp,"ITEM: NUMBER OF ATOMS\n"); fprintf(fp,"ITEM: NUMBER OF ATOMS\n");

1
src/dump_custom.cpp
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@ -420,6 +420,7 @@ void DumpCustom::header_binary_triclinic(bigint ndump)
void DumpCustom::header_item(bigint ndump) void DumpCustom::header_item(bigint ndump)
{ {
fprintf(fp,"ITEM: UNITS %s\n",update->unit_style);
fprintf(fp,"ITEM: TIMESTEP\n"); fprintf(fp,"ITEM: TIMESTEP\n");
fprintf(fp,BIGINT_FORMAT "\n",update->ntimestep); fprintf(fp,BIGINT_FORMAT "\n",update->ntimestep);
fprintf(fp,"ITEM: NUMBER OF ATOMS\n"); fprintf(fp,"ITEM: NUMBER OF ATOMS\n");

1
src/dump_local.cpp
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@ -256,6 +256,7 @@ int DumpLocal::modify_param(int narg, char **arg)
void DumpLocal::write_header(bigint ndump) void DumpLocal::write_header(bigint ndump)
{ {
if (me == 0) { if (me == 0) {
fprintf(fp,"ITEM: UNITS %s\n",update->unit_style);
fprintf(fp,"ITEM: TIMESTEP\n"); fprintf(fp,"ITEM: TIMESTEP\n");
fprintf(fp,BIGINT_FORMAT "\n",update->ntimestep); fprintf(fp,BIGINT_FORMAT "\n",update->ntimestep);
fprintf(fp,"ITEM: NUMBER OF %s\n",label); fprintf(fp,"ITEM: NUMBER OF %s\n",label);