Fixed a few problems with read_dump xyz

This commit is contained in:
Aidan Thompson
2019-07-07 18:00:07 -06:00
parent c00f2adb42
commit 65e281d661
3 changed files with 16 additions and 3 deletions

View File

@ -507,7 +507,10 @@ void ReadDump::header(int fieldinfo)
yhi = box[1][1]; yhi = box[1][1];
zlo = box[2][0]; zlo = box[2][0];
zhi = box[2][1]; zhi = box[2][1];
if (triclinic_snap) {
// value of 1 indicates possible change in tilt factors
if (triclinic_snap == 1) {
xy = box[0][2]; xy = box[0][2];
xz = box[1][2]; xz = box[1][2];
yz = box[2][2]; yz = box[2][2];
@ -546,7 +549,7 @@ void ReadDump::header(int fieldinfo)
error->one(FLERR,"Read_dump triclinic status does not match simulation"); error->one(FLERR,"Read_dump triclinic status does not match simulation");
} }
// error check on requested fields exisiting in dump file // error check on requested fields existing in dump file
if (fieldflag < 0) if (fieldflag < 0)
error->one(FLERR,"Read_dump field not found in dump file"); error->one(FLERR,"Read_dump field not found in dump file");

View File

@ -75,3 +75,13 @@ void Reader::close_file()
else fclose(fp); else fclose(fp);
fp = NULL; fp = NULL;
} }
/* ----------------------------------------------------------------------
detect unused arguments
------------------------------------------------------------------------- */
void Reader::settings(int narg, char** /*args*/)
{
if (narg > 0)
error->all(FLERR,"Illegal read_dump command");
}

View File

@ -25,7 +25,7 @@ class Reader : protected Pointers {
Reader(class LAMMPS *); Reader(class LAMMPS *);
virtual ~Reader() {} virtual ~Reader() {}
virtual void settings(int, char**) {}; virtual void settings(int, char**);
virtual int read_time(bigint &) = 0; virtual int read_time(bigint &) = 0;
virtual void skip() = 0; virtual void skip() = 0;