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_).unitFrame[localIndex_] = a.transpose() * sU_; |
37 |
|
|
38 |
|
std::vector<Atom*>::iterator i; |
39 |
|
for (i = atoms_.begin(); i != atoms_.end(); ++i) { |
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_).unitFrame[localIndex_] = a.transpose() * sU_; |
51 |
|
|
52 |
|
std::vector<Atom*>::iterator i; |
53 |
|
for (i = atoms_.begin(); i != atoms_.end(); ++i) { |
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_).unitFrame[localIndex_] = a.transpose() * sU_; |
63 |
|
|
64 |
|
std::vector<Atom*>::iterator i; |
65 |
|
for (i = atoms_.begin(); i != atoms_.end(); ++i) { |