src/kernel/ionize.h

   1 /*
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   9  *                        VERSION 3.2.0
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  35
  36 #ifndef _ionize_h
  37 #define _ionize_h
  38
  39 #include <stdio.h>
  40 #include "typedefs.h"
  41
  42 extern void ionize(FILE *log,const output_env_t oenv,t_mdatoms *md,
  43                    gmx_mtop_t *mtop, real t,t_inputrec *ir,rvec x[],rvec v[],
  44                    int start,int end,matrix box,t_commrec *cr);
  45
  46 extern real electron_atom_interactions(FILE *fp,t_mdatoms *md,t_inputrec *ir,
  47                                        int start,int end,
  48                                        rvec x[],rvec v[],rvec f[],matrix box);
  49 /* Calculate what the name says. */
  50
  51 #endif