include/calcmu.h

   1 /*
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   9  *                        VERSION 3.2.0
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  12  * Copyright (c) 2001-2004, The GROMACS development team,
  13  * check out http://www.gromacs.org for more information.
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  15  * This program is free software; you can redistribute it and/or
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  35
  36 #ifndef _calcmu_h
  37 #define _calcmu_h
  38
  39
  40 #include "typedefs.h"
  41 #include "network.h"
  42
  43 #ifdef __cplusplus
  44 extern "C" {
  45 #endif
  46
  47 void calc_mu(int start,int homenr,rvec x[],real q[],real qB[],
  48                     int nChargePerturbed,
  49                     dvec mu,dvec mu_B);
  50
  51 gmx_bool read_mu(FILE *fp,rvec mu,real *vol);
  52 /* Return true on succes */
  53
  54 #ifdef __cplusplus
  55 }
  56 #endif
  57
  58 #endif