/* Estimate the reciprocal space part error of the SPME Ewald sum. */
static real estimate_reciprocal(
- t_inputinfo *info,
- rvec x[], /* array of particles */
- real q[], /* array of charges */
- int nr, /* number of charges = size of the charge array */
- FILE gmx_unused *fp_out,
- gmx_bool bVerbose,
- int seed, /* The seed for the random number generator */
- int *nsamples, /* Return the number of samples used if Monte Carlo
- * algorithm is used for self energy error estimate */
- t_commrec *cr)
+ t_inputinfo *info,
+ rvec x[], /* array of particles */
+ const real q[], /* array of charges */
+ int nr, /* number of charges = size of the charge array */
+ FILE gmx_unused *fp_out,
+ gmx_bool bVerbose,
+ int seed, /* The seed for the random number generator */
+ int *nsamples, /* Return the number of samples used if Monte Carlo
+ * algorithm is used for self energy error estimate */
+ t_commrec *cr)
{
real e_rec = 0; /* reciprocal error estimate */
real e_rec1 = 0; /* Error estimate term 1*/