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root/group/trunk/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 561 by mmeineke, Fri Jun 20 20:29:36 2003 UTC

# Line 1 | Line 1
1 + #include <iostream>
2 +
3 + using namespace std;
4 +
5   #include "Atom.hpp"
6  
7 + double* Atom::pos; // the position array
8 + double* Atom::vel; // the velocity array
9 + double* Atom::frc; // the forc array
10 + double* Atom::trq; // the torque vector  ( space fixed )
11 + double* Atom::Amat; // the rotation matrix
12 + double* Atom::mu;   // the array of dipole moments
13 + double* Atom::ul;   // the lab frame unit directional vector
14 + int Atom::nElements;
15 +
16   Atom::Atom(int theIndex) {
17    c_n_hyd = 0;
18    has_dipole = 0;
# Line 25 | Line 38 | void Atom::createArrays (int nElements) {
38    Azz = Axx+8;
39   }
40  
41 < void Atom::createArrays (int nElements) {
41 > void Atom::createArrays (int the_nElements) {
42    int i;
43    
44 +  nElements = the_nElements;
45 +
46    pos = new double[nElements*3];
47    vel = new double[nElements*3];
48    frc = new double[nElements*3];

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