--- trunk/mdtools/md_code/DirectionalAtom.cpp 2002/07/16 21:10:49 30 +++ trunk/mdtools/md_code/DirectionalAtom.cpp 2002/11/21 20:33:06 184 @@ -2,6 +2,11 @@ #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 ) + void DirectionalAtom::setA( double the_A[3][3] ){ Axx = the_A[0][0]; Axy = the_A[0][1]; Axz = the_A[0][2]; @@ -41,17 +46,17 @@ void DirectionalAtom::getA( double the_A[3][3] ){ void DirectionalAtom::getA( double the_A[3][3] ){ - A[0][0] = Axx; - A[0][1] = Axy; - A[0][2] = Axz; + the_A[0][0] = Axx; + the_A[0][1] = Axy; + the_A[0][2] = Axz; - A[1][0] = Ayx; - A[1][1] = Ayy; - A[1][2] = Ayz; + the_A[1][0] = Ayx; + the_A[1][1] = Ayy; + the_A[1][2] = Ayz; - A[2][0] = Azx; - A[2][1] = Azy; - A[2][2] = Azz; + the_A[2][0] = Azx; + the_A[2][1] = Azy; + the_A[2][2] = Azz; }