--- trunk/OOPSE/libmdtools/SimInfo.hpp 2003/09/22 23:07:57 781 +++ trunk/OOPSE/libmdtools/SimInfo.hpp 2003/09/25 19:27:15 787 @@ -30,19 +30,19 @@ class SimInfo{ (public) double tau[9]; // the stress tensor - unsigned int n_bonds; // number of bends - unsigned int n_bends; // number of bends - unsigned int n_torsions; // number of torsions - unsigned int n_oriented; // number of of atoms with orientation - unsigned int ndf; // number of actual degrees of freedom - unsigned int ndfRaw; // number of settable degrees of freedom - unsigned int ndfTrans; // number of translational degrees of freedom - unsigned int nZconstraints; // the number of zConstraints + int n_bonds; // number of bends + int n_bends; // number of bends + int n_torsions; // number of torsions + int n_oriented; // number of of atoms with orientation + int ndf; // number of actual degrees of freedom + int ndfRaw; // number of settable degrees of freedom + int ndfTrans; // number of translational degrees of freedom + int nZconstraints; // the number of zConstraints - unsigned int setTemp; // boolean to set the temperature at each sampleTime - unsigned int resetIntegrator; // boolean to reset the integrator + int setTemp; // boolean to set the temperature at each sampleTime + int resetIntegrator; // boolean to reset the integrator - unsigned int n_dipoles; // number of dipoles + int n_dipoles; // number of dipoles int n_exclude; // the # of pairs excluded from long range forces @@ -57,7 +57,7 @@ class SimInfo{ (public) int n_constraints; // the number of constraints on the system - unsigned int n_SRI; // the number of short range interactions + int n_SRI; // the number of short range interactions double lrPot; // the potential energy from the long range calculations.