include/rmpbc.h

   1 /*
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  36
  37 #ifndef _rmpbc_h
  38 #define _rmpbc_h
  39
  40 #ifdef HAVE_CONFIG_H
  41 #include <config.h>
  42 #endif
  43
  44
  45 #include "typedefs.h"
  46
  47 extern void rm_pbc(t_idef *idef,int natoms,matrix box,rvec x[],rvec x_s[]);
  48 /* Remove periodic boundary conditions.
  49  * natoms is the size of x and x_s and can be smaller than the number
  50  * of atoms in idef, but should only contain whole molecules
  51  */
  52
  53 #endif  /* _rmpbc_h */