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root/OpenMD/trunk/test/brains/RigidBody.cpp
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Comparing trunk/test/brains/RigidBody.cpp (file contents):
Revision 197 by tim, Mon Nov 1 19:57:07 2004 UTC vs.
Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC

# Line 1 | Line 1
1   /*
2 < * Copyright (C) 2000-2004  Object Oriented Parallel Simulation Engine (OOPSE) project
2 > * Copyright (C) 2000-2009  The Open Molecular Dynamics Engine (OpenMD) project
3   *
4 < * Contact: oopse@oopse.org
4 > * Contact: gezelter@openscience.org
5   *
6   * This program is free software; you can redistribute it and/or
7   * modify it under the terms of the GNU Lesser General Public License
# Line 25 | Line 25
25  
26   #include "primitives/RigidBody.hpp"
27  
28 < namespace oopse {
28 > namespace OpenMD {
29  
30   RigidBody::RigidBody() : StuntDouble(otRigidBody, &Snapshot::rigidbodyData){
31  
# Line 33 | Line 33 | void RigidBody::setPrevA(const RotMat3x3d& a) {
33  
34   void RigidBody::setPrevA(const RotMat3x3d& a) {
35      ((snapshotMan_->getPrevSnapshot())->*storage_).aMat[localIndex_] = a;
36 <    ((snapshotMan_->getPrevSnapshot())->*storage_).unitVector[localIndex_] = a.inverse() * sU_.getColum(2);
36 >    ((snapshotMan_->getPrevSnapshot())->*storage_).unitVector[localIndex_] = a.inverse() * sU_.getColumn(2);
37  
38      std::vector<Atom*>::iterator i;
39      for (i = atoms_.begin(); i != atoms_.end(); ++i) {
# Line 47 | Line 47 | void RigidBody::setA(const RotMat3x3d& a) {
47        
48   void RigidBody::setA(const RotMat3x3d& a) {
49      ((snapshotMan_->getCurrentSnapshot())->*storage_).aMat[localIndex_] = a;
50 <    ((snapshotMan_->getCurrentSnapshot())->*storage_).unitVector[localIndex_] = a.inverse() * sU_.getColum(2);
50 >    ((snapshotMan_->getCurrentSnapshot())->*storage_).unitVector[localIndex_] = a.inverse() * sU_.getColumn(2);
51  
52      std::vector<Atom*>::iterator i;
53      for (i = atoms_.begin(); i != atoms_.end(); ++i) {
# Line 59 | Line 59 | void RigidBody::setA(const RotMat3x3d& a, int snapshot
59      
60   void RigidBody::setA(const RotMat3x3d& a, int snapshotNo) {
61      ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).aMat[localIndex_] = a;
62 <    ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).unitVector[localIndex_] = a.inverse() * sU_.getColum(2);    
62 >    ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).unitVector[localIndex_] = a.inverse() * sU_.getColumn(2);    
63  
64      std::vector<Atom*>::iterator i;
65      for (i = atoms_.begin(); i != atoms_.end(); ++i) {
# Line 221 | Line 221 | void  RigidBody::calcRefCoords() {
221    if (n_linear_coords > 1) {
222            sprintf( painCave.errMsg,
223                 "RigidBody error.\n"
224 <               "\tOOPSE found more than one axis in this rigid body with a vanishing \n"
224 >               "\tOpenMD found more than one axis in this rigid body with a vanishing \n"
225                 "\tmoment of inertia.  This can happen in one of three ways:\n"
226                 "\t 1) Only one atom was specified, or \n"
227                 "\t 2) All atoms were specified at the same location, or\n"

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