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root/group/branches/no-template-branch/OOPSE/libmdtools/Atom.cpp
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Comparing trunk/OOPSE/libmdtools/Atom.cpp (file contents):
Revision 410 by gezelter, Wed Mar 26 21:23:00 2003 UTC vs.
Revision 413 by mmeineke, Wed Mar 26 21:54:49 2003 UTC

# Line 1 | Line 1
1   #include "Atom.hpp"
2  
3 + double* Atom::pos; // the position array
4 + double* Atom::vel; // the velocity array
5 + double* Atom::frc; // the forc array
6 + double* Atom::trq; // the torque vector  ( space fixed )
7 + double* Atom::Amat; // the rotation matrix
8 + double* Atom::mu;   // the array of dipole moments
9 + double* Atom::ul;   // the lab frame unit directional vector
10 + int Atom::nElements;
11 +
12   Atom::Atom(int theIndex) {
13    c_n_hyd = 0;
14    has_dipole = 0;
# Line 25 | Line 34 | Atom::Atom(int theIndex) {
34    Azz = Axx+8;
35   }
36  
37 < void Atom::createArrays (int nElements) {
37 > void Atom::createArrays (int the_nElements) {
38    int i;
39    
40 +  nElements = the_nElements;
41 +
42    pos = new double[nElements*3];
43    vel = new double[nElements*3];
44    frc = new double[nElements*3];

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