--- trunk/OOPSE/libmdtools/Atom.cpp 2003/03/26 21:23:00 410 +++ trunk/OOPSE/libmdtools/Atom.cpp 2003/03/26 21:54:49 413 @@ -1,5 +1,14 @@ #include "Atom.hpp" +double* Atom::pos; // the position array +double* Atom::vel; // the velocity array +double* Atom::frc; // the forc array +double* Atom::trq; // the torque vector ( space fixed ) +double* Atom::Amat; // the rotation matrix +double* Atom::mu; // the array of dipole moments +double* Atom::ul; // the lab frame unit directional vector +int Atom::nElements; + Atom::Atom(int theIndex) { c_n_hyd = 0; has_dipole = 0; @@ -25,9 +34,11 @@ void Atom::createArrays (int nElements) { Azz = Axx+8; } -void Atom::createArrays (int nElements) { +void Atom::createArrays (int the_nElements) { int i; + nElements = the_nElements; + pos = new double[nElements*3]; vel = new double[nElements*3]; frc = new double[nElements*3];