| 38 |
|
|
| 39 |
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void DirectionalAtom::setPrevA(const RotMat3x3d& a) { |
| 40 |
|
((snapshotMan_->getPrevSnapshot())->*storage_).aMat[localIndex_] = a; |
| 41 |
< |
((snapshotMan_->getPrevSnapshot())->*storage_).unitVector[localIndex_] = a.inverse() * sU_.getColum(2); |
| 41 |
> |
((snapshotMan_->getPrevSnapshot())->*storage_).unitVector[localIndex_] = a.inverse() * sU_.getColumn(2); |
| 42 |
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} |
| 43 |
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|
| 44 |
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|
| 45 |
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void DirectionalAtom::setA(const RotMat3x3d& a) { |
| 46 |
|
((snapshotMan_->getCurrentSnapshot())->*storage_).aMat[localIndex_] = a; |
| 47 |
< |
((snapshotMan_->getCurrentSnapshot())->*storage_).unitVector[localIndex_] = a.inverse() * sU_.getColum(2); |
| 47 |
> |
((snapshotMan_->getCurrentSnapshot())->*storage_).unitVector[localIndex_] = a.inverse() * sU_.getColumn(2); |
| 48 |
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} |
| 49 |
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|
| 50 |
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void DirectionalAtom::setA(const RotMat3x3d& a, int snapshotNo) { |
| 51 |
|
((snapshotMan_->getSnapshot(snapshotNo))->*storage_).aMat[localIndex_] = a; |
| 52 |
< |
((snapshotMan_->getSnapshot(snapshotNo))->*storage_).unitVector[localIndex_] = a.inverse() * sU_.getColum(2); |
| 52 |
> |
((snapshotMan_->getSnapshot(snapshotNo))->*storage_).unitVector[localIndex_] = a.inverse() * sU_.getColumn(2); |
| 53 |
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} |
| 54 |
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|
| 55 |
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void DirectionalAtom::rotateBy(const RotMat3x3d& m) { |