A loop counter for a loop over vsiten did not take into
account that multiple entries make up one vsiten
particle. Part of #1579.
Change-Id: Ic9a79e89ea9ef8f9f529c9d4a6c5cf05f65e9c7d
inv_mass += coeff*coeff/m_aj;
}
vsite_m[a1] = 1/inv_mass;
inv_mass += coeff*coeff/m_aj;
}
vsite_m[a1] = 1/inv_mass;
+ /* Correct for loop increment of i */
+ i += j - 1 - NRAL(ft);
break;
default:
/* Use the mass of the lightest constructing atom.
break;
default:
/* Use the mass of the lightest constructing atom.