expose numetical version id to library and python interface
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@ -70,6 +70,9 @@ class lammps:
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if self.opened: self.lib.lammps_close(self.lmp)
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if self.opened: self.lib.lammps_close(self.lmp)
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self.lmp = None
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self.lmp = None
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def version(self):
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return self.lib.lammps_version(self.lmp)
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def file(self,file):
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def file(self,file):
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self.lib.lammps_file(self.lmp,file)
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self.lib.lammps_file(self.lmp,file)
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@ -19,6 +19,7 @@
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#include "stdlib.h"
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#include "stdlib.h"
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#include "library.h"
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#include "library.h"
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#include "lammps.h"
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#include "lammps.h"
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#include "universe.h"
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#include "input.h"
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#include "input.h"
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#include "atom.h"
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#include "atom.h"
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#include "domain.h"
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#include "domain.h"
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@ -79,6 +80,16 @@ void lammps_close(void *ptr)
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delete lmp;
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delete lmp;
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}
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}
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/* ----------------------------------------------------------------------
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get the numerical representation of the current LAMMPS version
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------------------------------------------------------------------------- */
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int lammps_version(void *ptr)
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{
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LAMMPS *lmp = (LAMMPS *) ptr;
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return atoi(lmp->universe->num_ver);
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}
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/* ----------------------------------------------------------------------
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/* ----------------------------------------------------------------------
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process an input script in filename str
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process an input script in filename str
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------------------------------------------------------------------------- */
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------------------------------------------------------------------------- */
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@ -27,6 +27,7 @@ extern "C" {
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void lammps_open(int, char **, MPI_Comm, void **);
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void lammps_open(int, char **, MPI_Comm, void **);
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void lammps_open_no_mpi(int, char **, void **);
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void lammps_open_no_mpi(int, char **, void **);
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void lammps_close(void *);
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void lammps_close(void *);
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int lammps_version(void *);
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void lammps_file(void *, char *);
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void lammps_file(void *, char *);
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char *lammps_command(void *, char *);
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char *lammps_command(void *, char *);
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void lammps_free(void *);
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void lammps_free(void *);
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