diff --git a/src/dump_atom.cpp b/src/dump_atom.cpp index 3fcb8126a5..6221463920 100644 --- a/src/dump_atom.cpp +++ b/src/dump_atom.cpp @@ -215,9 +215,9 @@ void DumpAtom::header_item(bigint ndump) fprintf(fp,"ITEM: NUMBER OF ATOMS\n"); fprintf(fp,BIGINT_FORMAT "\n",ndump); fprintf(fp,"ITEM: BOX BOUNDS %s\n",boundstr); - fprintf(fp,"%g %g\n",boxxlo,boxxhi); - fprintf(fp,"%g %g\n",boxylo,boxyhi); - fprintf(fp,"%g %g\n",boxzlo,boxzhi); + fprintf(fp,"%-1.16e %-1.16e\n",boxxlo,boxxhi); + fprintf(fp,"%-1.16e %-1.16e\n",boxylo,boxyhi); + fprintf(fp,"%-1.16e %-1.16e\n",boxzlo,boxzhi); fprintf(fp,"ITEM: ATOMS %s\n",columns); } @@ -230,9 +230,9 @@ void DumpAtom::header_item_triclinic(bigint ndump) fprintf(fp,"ITEM: NUMBER OF ATOMS\n"); fprintf(fp,BIGINT_FORMAT "\n",ndump); fprintf(fp,"ITEM: BOX BOUNDS xy xz yz %s\n",boundstr); - fprintf(fp,"%g %g %g\n",boxxlo,boxxhi,boxxy); - fprintf(fp,"%g %g %g\n",boxylo,boxyhi,boxxz); - fprintf(fp,"%g %g %g\n",boxzlo,boxzhi,boxyz); + fprintf(fp,"%-1.16e %-1.16e %-1.16e\n",boxxlo,boxxhi,boxxy); + fprintf(fp,"%-1.16e %-1.16e %-1.16e\n",boxylo,boxyhi,boxxz); + fprintf(fp,"%-1.16e %-1.16e %-1.16e\n",boxzlo,boxzhi,boxyz); fprintf(fp,"ITEM: ATOMS %s\n",columns); } diff --git a/src/dump_custom.cpp b/src/dump_custom.cpp index cdea7d1043..e99533eba8 100644 --- a/src/dump_custom.cpp +++ b/src/dump_custom.cpp @@ -400,9 +400,9 @@ void DumpCustom::header_item(bigint ndump) fprintf(fp,"ITEM: NUMBER OF ATOMS\n"); fprintf(fp,BIGINT_FORMAT "\n",ndump); fprintf(fp,"ITEM: BOX BOUNDS %s\n",boundstr); - fprintf(fp,"%g %g\n",boxxlo,boxxhi); - fprintf(fp,"%g %g\n",boxylo,boxyhi); - fprintf(fp,"%g %g\n",boxzlo,boxzhi); + fprintf(fp,"%-1.16e %-1.16e\n",boxxlo,boxxhi); + fprintf(fp,"%-1.16e %-1.16e\n",boxylo,boxyhi); + fprintf(fp,"%-1.16e %-1.16e\n",boxzlo,boxzhi); fprintf(fp,"ITEM: ATOMS %s\n",columns); } @@ -415,9 +415,9 @@ void DumpCustom::header_item_triclinic(bigint ndump) fprintf(fp,"ITEM: NUMBER OF ATOMS\n"); fprintf(fp,BIGINT_FORMAT "\n",ndump); fprintf(fp,"ITEM: BOX BOUNDS xy xz yz %s\n",boundstr); - fprintf(fp,"%g %g %g\n",boxxlo,boxxhi,boxxy); - fprintf(fp,"%g %g %g\n",boxylo,boxyhi,boxxz); - fprintf(fp,"%g %g %g\n",boxzlo,boxzhi,boxyz); + fprintf(fp,"%-1.16e %-1.16e %-1.16e\n",boxxlo,boxxhi,boxxy); + fprintf(fp,"%-1.16e %-1.16e %-1.16e\n",boxylo,boxyhi,boxxz); + fprintf(fp,"%-1.16e %-1.16e %-1.16e\n",boxzlo,boxzhi,boxyz); fprintf(fp,"ITEM: ATOMS %s\n",columns); } @@ -1073,7 +1073,8 @@ int DumpCustom::parse_fields(int narg, char **arg) if (!atom->molecule_flag) error->all(FLERR,"Dumping an atom property that isn't allocated"); pack_choice[i] = &DumpCustom::pack_molecule; - vtype[i] = INT; + if (sizeof(tagint) == sizeof(smallint)) vtype[i] = INT; + else vtype[i] = BIGINT; } else if (strcmp(arg[iarg],"proc") == 0) { pack_choice[i] = &DumpCustom::pack_proc; vtype[i] = INT;