src/gromacs/gmxlib/nonbonded/nb_free_energy.h

   1 /*
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  34
  35 #ifndef _nb_free_energy_h_
  36 #define _nb_free_energy_h_
  37
  38 #include <typedefs.h>
  39
  40 void
  41 gmx_nb_free_energy_kernel(int                  icoul,
  42                           int                  ivdw,
  43                           int                  nri,
  44                           int *                iinr,
  45                           int *                jindex,
  46                           int *                jjnr,
  47                           int *                shift,
  48                           real *               shiftvec,
  49                           real *               fshift,
  50                           int *                gid,
  51                           real *               x,
  52                           real *               f,
  53                           real *               chargeA,
  54                           real *               chargeB,
  55                           real                 facel,
  56                           real                 krf,
  57                           real                 crf,
  58                           real                 ewc,
  59                           real *               Vc,
  60                           int *                typeA,
  61                           int *                typeB,
  62                           int                  ntype,
  63                           real *               nbfp,
  64                           real *               Vvdw,
  65                           real                 tabscale,
  66                           real *               VFtab,
  67                           real                 lambda,
  68                           real *               dvdlambda,
  69                           real                 alpha,
  70                           int                  lam_power,
  71                           real                 sigma6_def,
  72                           real                 sigma6_min,
  73                           gmx_bool                 bDoForces,
  74                           int *                outeriter,
  75                           int *                inneriter);
  76
  77 #endif
  78