multiple consistency improvements for restart files

- make defines and enumerators automatically consistent by moving them to a shared header file
- change VERSION_NUMERIC to FORMAT_REVISION (and corresponding function names)
- new class member revision in ReadRestart class to allow backward compatibility
- step current FORMAT_REVISION to 1
- write the magic string a the end of each restart
- add a check, that skips to the end of a file and checks for the magic string and then returns
  but do this only if FORMAT_REVISION is 1 or larger for backward compatibility

src/write_restart.cpp

@@ -36,34 +36,10 @@
 #include "memory.h"
 #include "error.h"
 
+#include "lmp_restart.h"
+
 using namespace LAMMPS_NS;
 
-// same as read_restart.cpp
-
-#define MAGIC_STRING "LammpS RestartT"
-#define ENDIAN 0x0001
-#define ENDIANSWAP 0x1000
-#define VERSION_NUMERIC 0
-
-enum{VERSION,SMALLINT,TAGINT,BIGINT,
-     UNITS,NTIMESTEP,DIMENSION,NPROCS,PROCGRID,
-     NEWTON_PAIR,NEWTON_BOND,
-     XPERIODIC,YPERIODIC,ZPERIODIC,BOUNDARY,
-     ATOM_STYLE,NATOMS,NTYPES,
-     NBONDS,NBONDTYPES,BOND_PER_ATOM,
-     NANGLES,NANGLETYPES,ANGLE_PER_ATOM,
-     NDIHEDRALS,NDIHEDRALTYPES,DIHEDRAL_PER_ATOM,
-     NIMPROPERS,NIMPROPERTYPES,IMPROPER_PER_ATOM,
-     TRICLINIC,BOXLO,BOXHI,XY,XZ,YZ,
-     SPECIAL_LJ,SPECIAL_COUL,
-     MASS,PAIR,BOND,ANGLE,DIHEDRAL,IMPROPER,
-     MULTIPROC,MPIIO,PROCSPERFILE,PERPROC,
-     IMAGEINT,BOUNDMIN,TIMESTEP,
-     ATOM_ID,ATOM_MAP_STYLE,ATOM_MAP_USER,ATOM_SORTFREQ,ATOM_SORTBIN,
-     COMM_MODE,COMM_CUTOFF,COMM_VEL,NO_PAIR,
-     EXTRA_BOND_PER_ATOM,EXTRA_ANGLE_PER_ATOM,EXTRA_DIHEDRAL_PER_ATOM,
-     EXTRA_IMPROPER_PER_ATOM,EXTRA_SPECIAL_PER_ATOM,ATOM_MAXSPECIAL};
-
 /* ---------------------------------------------------------------------- */
 
 WriteRestart::WriteRestart(LAMMPS *lmp) : Pointers(lmp)
@@ -319,6 +295,7 @@ void WriteRestart::write(char *file)
 
   if (multiproc) {
     if (me == 0 && fp) {
+      magic_string();
       fclose(fp);
       fp = NULL;
     }
@@ -401,6 +378,7 @@ void WriteRestart::write(char *file)
 
   if (mpiioflag) {
     if (me == 0 && fp) {
+      magic_string();
       fclose(fp);
       fp = NULL;
     }
@@ -430,6 +408,7 @@ void WriteRestart::write(char *file)
 
         write_double_vec(PERPROC,recv_size,buf);
       }
+      magic_string();
       fclose(fp);
       fp = NULL;
 
@@ -656,7 +635,7 @@ void WriteRestart::endian()
 
 void WriteRestart::version_numeric()
 {
-  int vn = VERSION_NUMERIC;
+  int vn = FORMAT_REVISION;
   fwrite(&vn,sizeof(int),1,fp);
 }