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add support for adding an ITEM: TIME output to some dump files

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This commit is contained in:
Axel Kohlmeyer
2019-09-30 11:03:22 -04:00
parent 6cd460072b
commit 01214de6bd
8 changed files with 35 additions and 3 deletions
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8
src/dump_custom.cpp
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@ -20,14 +20,14 @@
#include "region.h"
#include "group.h"
#include "input.h"
#include "variable.h"
#include "update.h"
#include "modify.h"
#include "compute.h"
#include "fix.h"
#include "fix_store.h"
#include "memory.h"
#include "error.h"
#include "update.h"
#include "variable.h"
using namespace LAMMPS_NS;
@ -424,6 +424,8 @@ void DumpCustom::header_item(bigint ndump)
++unit_count;
fprintf(fp,"ITEM: UNITS\n%s\n",update->unit_style);
}
if (time_flag) fprintf(fp,"ITEM: TIME\n%.16g\n",compute_time());
fprintf(fp,"ITEM: TIMESTEP\n");
fprintf(fp,BIGINT_FORMAT "\n",update->ntimestep);
fprintf(fp,"ITEM: NUMBER OF ATOMS\n");
@ -443,6 +445,8 @@ void DumpCustom::header_item_triclinic(bigint ndump)
++unit_count;
fprintf(fp,"ITEM: UNITS\n%s\n",update->unit_style);
}
if (time_flag) fprintf(fp,"ITEM: TIME\n%.16g\n",compute_time());
fprintf(fp,"ITEM: TIMESTEP\n");
fprintf(fp,BIGINT_FORMAT "\n",update->ntimestep);
fprintf(fp,"ITEM: NUMBER OF ATOMS\n");