if (bExpanded)
{
dhc->dh_expanded = dhc->dh + n;
- mde_delta_h_init(dhc->dh + n, ir->fepvals->dh_hist_size, ir->fepvals->dh_hist_spacing,
- ndhmax, dhbtEXPANDED, 0, 0, nullptr);
+ mde_delta_h_init(dhc->dh + n,
+ ir->fepvals->dh_hist_size,
+ ir->fepvals->dh_hist_spacing,
+ ndhmax,
+ dhbtEXPANDED,
+ 0,
+ 0,
+ nullptr);
n++;
}
if (bEnergy)
{
dhc->dh_energy = dhc->dh + n;
- mde_delta_h_init(dhc->dh + n, ir->fepvals->dh_hist_size, ir->fepvals->dh_hist_spacing,
- ndhmax, dhbtEN, 0, 0, nullptr);
+ mde_delta_h_init(
+ dhc->dh + n, ir->fepvals->dh_hist_size, ir->fepvals->dh_hist_spacing, ndhmax, dhbtEN, 0, 0, nullptr);
n++;
}
/* add the dhdl's */
if (ir->fepvals->separate_dvdl[i])
{
/* we give it init_lambda for compatibility */
- mde_delta_h_init(dhc->dh + n, ir->fepvals->dh_hist_size, ir->fepvals->dh_hist_spacing,
- ndhmax, dhbtDHDL, n_lambda_components, 1, &(fep->init_lambda));
+ mde_delta_h_init(dhc->dh + n,
+ ir->fepvals->dh_hist_size,
+ ir->fepvals->dh_hist_spacing,
+ ndhmax,
+ dhbtDHDL,
+ n_lambda_components,
+ 1,
+ &(fep->init_lambda));
n++;
n_lambda_components++;
}
}
}
- mde_delta_h_init(dhc->dh + n, ir->fepvals->dh_hist_size, ir->fepvals->dh_hist_spacing,
- ndhmax, dhbtDH, 0, n_lambda_components, lambda_vec);
+ mde_delta_h_init(dhc->dh + n,
+ ir->fepvals->dh_hist_size,
+ ir->fepvals->dh_hist_spacing,
+ ndhmax,
+ dhbtDH,
+ 0,
+ n_lambda_components,
+ lambda_vec);
n++;
}
sfree(lambda_vec);
if (bPV)
{
dhc->dh_pv = dhc->dh + n;
- mde_delta_h_init(dhc->dh + n, ir->fepvals->dh_hist_size, ir->fepvals->dh_hist_spacing,
- ndhmax, dhbtPV, 0, 0, nullptr);
+ mde_delta_h_init(
+ dhc->dh + n, ir->fepvals->dh_hist_size, ir->fepvals->dh_hist_spacing, ndhmax, dhbtPV, 0, 0, nullptr);
n++;
}
}