| # | Line 54 | Line 54 | namespace oopse { | |
|---|---|---|
| 54 | #include "UseTheForce/ForceField.hpp" | |
| 55 | namespace oopse { | |
| 56 | //convert lattice vector to rotation matrix | |
| 57 | < | double getAtomMass(const std::string& at, ForceField* myFF); |
| 58 | < | double getMolMass(MoleculeStamp *molStamp, ForceField *myFF); |
| 57 | > | RealType getAtomMass(const std::string& at, ForceField* myFF); |
| 58 | > | RealType getMolMass(MoleculeStamp *molStamp, ForceField *myFF); |
| 59 | RotMat3x3d latVec2RotMat(const Vector3d& lv); | |
| 60 | class MoLocator{ | |
| 61 | public: | |
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| + | Added lines |
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