src/gromacs/mdlib/calcmu.h

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  37 #ifndef GMX_MDLIB_CALCMU_H
  38 #define GMX_MDLIB_CALCMU_H
  39
  40 #include <stdio.h>
  41
  42 #include "gromacs/math/vectypes.h"
  43 #include "gromacs/utility/arrayref.h"
  44 #include "gromacs/utility/basedefinitions.h"
  45
  46 void calc_mu(int start, int homenr, gmx::ArrayRef<gmx::RVec> x, const real q[], const real qB[],
  47              int nChargePerturbed,
  48              dvec mu, dvec mu_B);
  49
  50 gmx_bool read_mu(FILE *fp, rvec mu, real *vol);
  51 /* Return true on succes */
  52
  53 #endif